2-benzamido-N-(2-methylpropyl)-4-oxidanylidene-thiochromene-3-carboxamide

Systemtic Name: 2-benzamido-N-(2-methylpropyl)-4-oxidanylidene-thiochromene-3-carboxamide Openeye Name: 2-benzamido-N-isobutyl-4-oxo-thiochromene-3-carboxamide CAS Name: 2-benzamido-N-(2-methylpropyl)-4-oxo-1-benzothiopyran-3-carboxamide IUPAC Name: 2-benzamido-N-(2-methylpropyl)-4-oxothiochromene-3-carboxamide Traditional Name: 2-benzamido-N-isobutyl-4-keto-thiochromene-3-carboxamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(SC2=CC=CC=C2C1=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=C(SC2=CC=CC=C2C1=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-13(2)12-22-20(26)17-18(24)15-10-6-7-11-16(15)27-21(17)23-19(25)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,22,26)(H,23,25)