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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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