N-butan-2-yl-3-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-3-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 3-[(3-phenethyloxybenzoyl)carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-3-[(3-phenethyloxybenzoyl)carbamothioylamino]benzamide Traditional Name: 3-[(3-phenethyloxybenzoyl)thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-3-19(2)28-25(31)21-11-7-13-23(17-21)29-27(34)30-26(32)22-12-8-14-24(18-22)33-16-15-20-9-5-4-6-10-20/h4-14,17-19H,3,15-16H2,1-2H3,(H,28,31)(H2,29,30,32,34)