N-ethyl-4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide

Systemtic Name: N-ethyl-4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: N-ethyl-4-[(4-hexoxybenzoyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: N-ethyl-4-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-ethyl-4-[(4-hexoxybenzoyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: N-ethyl-4-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-phenyl-benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(CC)C3=CC=CC=C3

InChI

InChI=1S/C29H33N3O3S/c1-3-5-6-10-21-35-26-19-15-22(16-20-26)27(33)31-29(36)30-24-17-13-23(14-18-24)28(34)32(4-2)25-11-8-7-9-12-25/h7-9,11-20H,3-6,10,21H2,1-2H3,(H2,30,31,33,36)