N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidino-benzamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O3S/c1-12-14(21)6-8-17-18(12)22-20(29-17)23-19(26)13-5-7-15(16(11-13)25(27)28)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H,22,23,26)