N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: 3-(2-phenoxyethoxy)-N-[[4-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: 3-(2-phenoxyethoxy)-N-[[4-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-3-19(2)28-25(31)20-12-14-22(15-13-20)29-27(35)30-26(32)21-8-7-11-24(18-21)34-17-16-33-23-9-5-4-6-10-23/h4-15,18-19H,3,16-17H2,1-2H3,(H,28,31)(H2,29,30,32,35)