3-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(4-phenylthiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[(4-phenyl-2-thiazolyl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(4-phenylthiazol-2-yl)thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S2/c27-19(15-8-9-17(18(12-15)26(28)29)25-10-4-5-11-25)23-20(30)24-21-22-16(13-31-21)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2,(H2,22,23,24,27,30)