N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-methyl-4-nitro-5-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(2-methyl-4-nitro-5-pyrrolidino-phenyl)thiocarbamoyl]thiophene-2-carboxamide Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=CS2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=CS2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S2/c1-11-9-14(21(23)24)13(20-6-2-3-7-20)10-12(11)18-17(25)19-16(22)15-5-4-8-26-15/h4-5,8-10H,2-3,6-7H2,1H3,(H2,18,19,22,25)