3-nitro-N-[(2-oxidanylidenechromen-6-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(2-oxidanylidenechromen-6-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(2-oxochromen-6-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-oxochromen-6-yl)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2-ketochromen-6-yl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H18N4O5S MolecularWeight: 438.45642

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=CC4=C(C=C3)OC(=O)C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=O)C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S/c26-19-8-4-13-11-15(5-7-18(13)30-19)22-21(31)23-20(27)14-3-6-16(17(12-14)25(28)29)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10H2,(H2,22,23,27,31)