N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidino-benzamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O3S/c1-17-5-11-21-24(15-17)34-26(28-21)18-6-9-20(10-7-18)27-25(31)19-8-12-22(23(16-19)30(32)33)29-13-3-2-4-14-29/h5-12,15-16H,2-4,13-14H2,1H3,(H,27,31)