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

Systemtic Name: 3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-heptoxybenzoyl)carbamothioylamino]-N-methyl-benzamide CAS Name: 3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-heptoxybenzoyl)carbamothioylamino]-N-methylbenzamide Traditional Name: N-benzyl-3-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-methyl-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)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

InChI

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