N-cycloheptyl-3-[4-[2-(cycloheptylcarbamothioyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenyl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-cycloheptyl-3-[4-[2-(cycloheptylcarbamothioyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenyl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-cycloheptyl-3-[4-[2-(cycloheptylcarbamothioyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenyl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-cycloheptyl-3-[4-[2-[(cycloheptylamino)-sulfanylidenemethyl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenyl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-cycloheptyl-3-[4-[2-(cycloheptylcarbamothioyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenyl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-cycloheptyl-5-[4-[2-(cycloheptylthiocarbamoyl)-5-phenyl-2-pyrazolin-3-yl]phenyl]-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C40H48N6S2 MolecularWeight: 676.97932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C5CC(=NN5C(=S)NC6CCCCCC6)C7=CC=CC=C7

Isomeric SMILES

C1CCCC(CC1)NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C5CC(=NN5C(=S)NC6CCCCCC6)C7=CC=CC=C7

InChI

InChI=1S/C40H48N6S2/c47-39(41-33-19-11-1-2-12-20-33)45-37(27-35(43-45)29-15-7-5-8-16-29)31-23-25-32(26-24-31)38-28-36(30-17-9-6-10-18-30)44-46(38)40(48)42-34-21-13-3-4-14-22-34/h5-10,15-18,23-26,33-34,37-38H,1-4,11-14,19-22,27-28H2,(H,41,47)(H,42,48)