N-(4-ethoxyphenyl)-2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[(4-heptoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(4-heptoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C30H35N3O4S MolecularWeight: 533.6816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C30H35N3O4S/c1-3-5-6-7-10-21-37-25-17-13-22(14-18-25)28(34)33-30(38)32-27-12-9-8-11-26(27)29(35)31-23-15-19-24(20-16-23)36-4-2/h8-9,11-20H,3-7,10,21H2,1-2H3,(H,31,35)(H2,32,33,34,38)