4-(3-methylbutoxy)-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-(3-methylbutoxy)-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-isopentyloxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 4-(3-methylbutoxy)-N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(3-methylbutoxy)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 4-isoamoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-19(2)15-16-33-24-13-11-20(12-14-24)26(32)30-27(35)29-22-8-6-7-21(17-22)28-25(31)18-34-23-9-4-3-5-10-23/h3-14,17,19H,15-16,18H2,1-2H3,(H,28,31)(H2,29,30,32,35)