N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O4S/c1-28-17-7-4-12(10-16(17)24(26)27)18(25)22-19(29)21-13-5-6-15(14(20)11-13)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H2,21,22,25,29)