N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-21(2)16(23)10-12-6-8-14(9-7-12)19-18(27)20-17(24)13-4-3-5-15(11-13)22(25)26/h3-9,11H,10H2,1-2H3,(H2,19,20,24,27)