(3S)-1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]-N-phenyl-nipecotamide Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCCC(C3)C(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S2/c1-15-14-32-23(24-15)33-20-10-9-16(12-19(20)27(30)31)22(29)26-11-5-6-17(13-26)21(28)25-18-7-3-2-4-8-18/h2-4,7-10,12,14,17H,5-6,11,13H2,1H3,(H,25,28)/t17-/m0/s1