3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 3-[(4-butoxybenzoyl)thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-3-4-17-33-24-15-13-21(14-16-24)25(31)30-27(34)29-23-12-8-11-22(18-23)26(32)28-19(2)20-9-6-5-7-10-20/h5-16,18-19H,3-4,17H2,1-2H3,(H,28,32)(H2,29,30,31,34)