[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-piperidin-1-yl-methanone Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-(1-piperidyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]-(1-piperidinyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]-piperidin-1-ylmethanone Traditional Name: [4-(1,3-benzothiazol-2-ylthio)-3-nitro-phenyl]-piperidino-methanone Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S2/c23-18(21-10-4-1-5-11-21)13-8-9-17(15(12-13)22(24)25)27-19-20-14-6-2-3-7-16(14)26-19/h2-3,6-9,12H,1,4-5,10-11H2