3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-phenyl-benzamide

Systemtic Name: 3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-methyl-N-phenyl-benzamide Openeye Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N-methyl-N-phenyl-benzamide CAS Name: 3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-methyl-N-phenylbenzamide IUPAC Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N-methyl-N-phenylbenzamide Traditional Name: 3-[(4-butoxybenzoyl)thiocarbamoylamino]-N-methyl-N-phenyl-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-3-4-17-32-23-15-13-19(14-16-23)24(30)28-26(33)27-21-10-8-9-20(18-21)25(31)29(2)22-11-6-5-7-12-22/h5-16,18H,3-4,17H2,1-2H3,(H2,27,28,30,33)