N-ethyl-3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide

Systemtic Name: N-ethyl-3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: N-ethyl-3-[(4-heptoxybenzoyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: N-ethyl-3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-ethyl-3-[(4-heptoxybenzoyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: N-ethyl-3-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-phenyl-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(CC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O3S/c1-3-5-6-7-11-21-36-27-19-17-23(18-20-27)28(34)32-30(37)31-25-14-12-13-24(22-25)29(35)33(4-2)26-15-9-8-10-16-26/h8-10,12-20,22H,3-7,11,21H2,1-2H3,(H2,31,32,34,37)