N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(5-methylpiazthiol-4-yl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C20H20N6O3S2 MolecularWeight: 456.5412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3S2/c1-12-5-7-14-18(24-31-23-14)17(12)21-20(30)22-19(27)13-6-8-15(16(11-13)26(28)29)25-9-3-2-4-10-25/h5-8,11H,2-4,9-10H2,1H3,(H2,21,22,27,30)