N-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3-cyano-4,5-dimethyl-2-thienyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3-cyano-4,5-dimethyl-2-thienyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N5O3S2/c1-11-12(2)29-18(14(11)10-20)22-19(28)21-17(25)13-5-6-15(16(9-13)24(26)27)23-7-3-4-8-23/h5-6,9H,3-4,7-8H2,1-2H3,(H2,21,22,25,28)