2-[(3-butoxyphenyl)carbonylcarbamothioylamino]-N-ethyl-N-phenyl-benzamide

Systemtic Name: 2-[(3-butoxyphenyl)carbonylcarbamothioylamino]-N-ethyl-N-phenyl-benzamide Openeye Name: 2-[(3-butoxybenzoyl)carbamothioylamino]-N-ethyl-N-phenyl-benzamide CAS Name: 2-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-ethyl-N-phenylbenzamide IUPAC Name: 2-[(3-butoxybenzoyl)carbamothioylamino]-N-ethyl-N-phenylbenzamide Traditional Name: 2-[(3-butoxybenzoyl)thiocarbamoylamino]-N-ethyl-N-phenyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(CC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(CC)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-3-5-18-33-22-15-11-12-20(19-22)25(31)29-27(34)28-24-17-10-9-16-23(24)26(32)30(4-2)21-13-7-6-8-14-21/h6-17,19H,3-5,18H2,1-2H3,(H2,28,29,31,34)