N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c1-13-6-8-25(9-7-13)17-5-4-16(12-18(17)26(28)29)21(27)24-22-23-20-15(3)10-14(2)11-19(20)30-22/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,27)