N-[(1S)-2-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]-2-oxidanylidene-1-piperidin-2-yl-ethyl]-1-benzofuran-4-carboxamide

Systemtic Name: N-[(1S)-2-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]-2-oxidanylidene-1-piperidin-2-yl-ethyl]-1-benzofuran-4-carboxamide Openeye Name: N-[(1S)-2-[2-cyclopropyl-5-(m-tolyl)thiazol-4-yl]-2-oxo-1-(2-piperidyl)ethyl]benzofuran-4-carboxamide CAS Name: N-[(1S)-2-[2-cyclopropyl-5-(3-methylphenyl)-4-thiazolyl]-2-oxo-1-(2-piperidinyl)ethyl]-4-benzofurancarboxamide IUPAC Name: N-[(1S)-2-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]-2-oxo-1-piperidin-2-ylethyl]-1-benzofuran-4-carboxamide Traditional Name: N-[(1S)-2-[2-cyclopropyl-5-(m-tolyl)thiazol-4-yl]-2-keto-1-(2-piperidyl)ethyl]benzofuran-4-carboxamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N=C(S2)C3CC3)C(=O)C(C4CCCCN4)NC(=O)C5=C6C=COC6=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N=C(S2)C3CC3)C(=O)[C@H](C4CCCCN4)NC(=O)C5=C6C=COC6=CC=C5

InChI

InChI=1S/C29H29N3O3S/c1-17-6-4-7-19(16-17)27-25(32-29(36-27)18-11-12-18)26(33)24(22-9-2-3-14-30-22)31-28(34)21-8-5-10-23-20(21)13-15-35-23/h4-8,10,13,15-16,18,22,24,30H,2-3,9,11-12,14H2,1H3,(H,31,34)/t22?,24-/m0/s1