N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenyl-butyl]-1-oxidanylidene-thiane-4-carboxamide

Systemtic Name: N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenyl-butyl]-1-oxidanylidene-thiane-4-carboxamide Openeye Name: N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]-1-oxo-thiane-4-carboxamide CAS Name: N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-1-piperidinyl]-1-phenylbutyl]-1-oxo-4-thianecarboxamide IUPAC Name: N-[(1S)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylbutyl]-1-oxothiane-4-carboxamide Traditional Name: N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)piperidino]-1-phenyl-butyl]-1-keto-thiane-4-carboxamide Formula: C27H41N5O2S MolecularWeight: 499.71174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCN(CC2)C(C)CC(C3=CC=CC=C3)NC(=O)C4CCS(=O)CC4)C(C)C

Isomeric SMILES

CC1=NN=C(N1C2CCN(CC2)C(C)C[C@@H](C3=CC=CC=C3)NC(=O)C4CCS(=O)CC4)C(C)C

InChI

InChI=1S/C27H41N5O2S/c1-19(2)26-30-29-21(4)32(26)24-10-14-31(15-11-24)20(3)18-25(22-8-6-5-7-9-22)28-27(33)23-12-16-35(34)17-13-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,28,33)/t20?,23?,25-,35?/m0/s1