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

Systemtic Name: N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(5-chloropiazthiol-4-yl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C19H17ClN6O3S2 MolecularWeight: 476.95968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC4=NSN=C43)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC4=NSN=C43)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN6O3S2/c20-12-5-6-13-17(24-31-23-13)16(12)21-19(30)22-18(27)11-4-7-14(15(10-11)26(28)29)25-8-2-1-3-9-25/h4-7,10H,1-3,8-9H2,(H2,21,22,27,30)