N-[(4-bromophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-bromophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-bromophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(4-bromoanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-bromophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(4-bromophenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H17BrN4O3S MolecularWeight: 449.32158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN4O3S/c19-13-4-6-14(7-5-13)20-18(27)21-17(24)12-3-8-15(16(11-12)23(25)26)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2,(H2,20,21,24,27)