[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]-(4-phenylpiperidin-1-yl)methanone

Systemtic Name: [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]-(4-phenylpiperidin-1-yl)methanone Openeye Name: [4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-phenyl]-(4-phenyl-1-piperidyl)methanone CAS Name: [4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-(4-phenyl-1-piperidinyl)methanone IUPAC Name: [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrophenyl]-(4-phenylpiperidin-1-yl)methanone Traditional Name: [4-[(4-methylthiazol-2-yl)thio]-3-nitro-phenyl]-(4-phenylpiperidino)methanone Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O3S2/c1-15-14-29-22(23-15)30-20-8-7-18(13-19(20)25(27)28)21(26)24-11-9-17(10-12-24)16-5-3-2-4-6-16/h2-8,13-14,17H,9-12H2,1H3