N-[4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[(4-heptoxybenzoyl)carbamothioylamino]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[(4-heptoxybenzoyl)carbamothioylamino]phenyl]-3-methylbenzamide Traditional Name: N-[4-[(4-heptoxybenzoyl)thiocarbamoylamino]phenyl]-3-methyl-benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C29H33N3O3S/c1-3-4-5-6-7-19-35-26-17-11-22(12-18-26)27(33)32-29(36)31-25-15-13-24(14-16-25)30-28(34)23-10-8-9-21(2)20-23/h8-18,20H,3-7,19H2,1-2H3,(H,30,34)(H2,31,32,33,36)