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

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[(4-heptoxybenzoyl)carbamothioylamino]-N-methyl-benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[(4-heptoxybenzoyl)carbamothioylamino]-N-methylbenzamide Traditional Name: N-benzyl-2-[(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=C2C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)CC3=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)31-27-16-11-10-15-26(27)29(35)33(2)22-23-13-8-7-9-14-23/h7-11,13-20H,3-6,12,21-22H2,1-2H3,(H2,31,32,34,37)