3-(3-methylphenyl)carbonyl-2-(2-methylpropyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-thiazolidine-4-carboxamide

Systemtic Name: 3-(3-methylphenyl)carbonyl-2-(2-methylpropyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-thiazolidine-4-carboxamide Openeye Name: 2-isobutyl-3-(3-methylbenzoyl)-N-[(3S)-2-oxoazepan-3-yl]thiazolidine-4-carboxamide CAS Name: 3-[(3-methylphenyl)-oxomethyl]-2-(2-methylpropyl)-N-[(3S)-2-oxo-3-azepanyl]-4-thiazolidinecarboxamide IUPAC Name: 3-(3-methylbenzoyl)-2-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazolidine-4-carboxamide Traditional Name: 2-isobutyl-N-[(3S)-2-ketoazepan-3-yl]-3-m-toluoyl-thiazolidine-4-carboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C(CSC2CC(C)C)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(CSC2CC(C)C)C(=O)N[C@H]3CCCCNC3=O

InChI

InChI=1S/C22H31N3O3S/c1-14(2)11-19-25(22(28)16-8-6-7-15(3)12-16)18(13-29-19)21(27)24-17-9-4-5-10-23-20(17)26/h6-8,12,14,17-19H,4-5,9-11,13H2,1-3H3,(H,23,26)(H,24,27)/t17-,18?,19?/m0/s1