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

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

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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(CC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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