N-[(2-iodanylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(2-iodanylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2-iodophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2-iodoanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2-iodophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2-iodophenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H17IN4O3S MolecularWeight: 496.32205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3I)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3I)[N+](=O)[O-]

InChI

InChI=1S/C18H17IN4O3S/c19-13-5-1-2-6-14(13)20-18(27)21-17(24)12-7-8-15(16(11-12)23(25)26)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2,(H2,20,21,24,27)