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

Systemtic Name: 4-methoxy-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-28-18-9-6-15(12-17(18)24(26)27)19(25)22-20(29)21-16-7-4-14(5-8-16)13-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H2,21,22,25,29)