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

Systemtic Name: N-[(2-aminocarbonylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2-carbamoylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2-carbamoylanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2-carbamoylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2-carbamoylphenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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=C3C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O4S/c20-17(25)13-5-1-2-6-14(13)21-19(29)22-18(26)12-7-8-15(16(11-12)24(27)28)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10H2,(H2,20,25)(H2,21,22,26,29)