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

Systemtic Name: N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(5-methylpiazthiol-4-yl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H18N6O3S2 MolecularWeight: 442.51462

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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)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O3S2/c1-11-4-6-13-17(23-30-22-13)16(11)20-19(29)21-18(26)12-5-7-14(15(10-12)25(27)28)24-8-2-3-9-24/h4-7,10H,2-3,8-9H2,1H3,(H2,20,21,26,29)