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

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(ethylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-[4-(ethylamino)-3-nitro-phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(ethylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(ethylamino)-3-nitrophenyl]methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-[4-(ethylamino)-3-nitro-phenyl]methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-2-22-16-8-7-15(13-18(16)25(27)28)21(26)24-11-9-14(10-12-24)20-23-17-5-3-4-6-19(17)29-20/h3-8,13-14,22H,2,9-12H2,1H3