N-[4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[(4-heptoxybenzoyl)carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[(4-heptoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[4-[(4-heptoxybenzoyl)thiocarbamoylamino]phenyl]-2-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=C3C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C29H33N3O3S/c1-3-4-5-6-9-20-35-25-18-12-22(13-19-25)27(33)32-29(36)31-24-16-14-23(15-17-24)30-28(34)26-11-8-7-10-21(26)2/h7-8,10-19H,3-6,9,20H2,1-2H3,(H,30,34)(H2,31,32,33,36)