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

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-phenethyl-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)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C30H35N3O3S/c1-2-3-4-5-11-22-36-25-18-16-24(17-19-25)28(34)33-30(37)32-27-15-10-9-14-26(27)29(35)31-21-20-23-12-7-6-8-13-23/h6-10,12-19H,2-5,11,20-22H2,1H3,(H,31,35)(H2,32,33,34,37)