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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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