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

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c27-22(15-5-8-17(23-16-6-7-16)19(13-15)26(28)29)25-11-9-14(10-12-25)21-24-18-3-1-2-4-20(18)30-21/h1-5,8,13-14,16,23H,6-7,9-12H2