2-[(4-heptoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[(4-heptoxybenzoyl)carbamothioyl-methyl-amino]benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[(4-heptoxybenzoyl)carbamothioyl-methylamino]benzamide Traditional Name: N-benzyl-2-[(4-heptoxybenzoyl)thiocarbamoyl-methyl-amino]benzamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C30H35N3O3S/c1-3-4-5-6-12-21-36-25-19-17-24(18-20-25)28(34)32-30(37)33(2)27-16-11-10-15-26(27)29(35)31-22-23-13-8-7-9-14-23/h7-11,13-20H,3-6,12,21-22H2,1-2H3,(H,31,35)(H,32,34,37)