N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]-3-nitro-benzamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)CSC2=NC(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O4S2/c26-17(22-15-9-10-15)12-30-21-23-18(13-5-2-1-3-6-13)20(31-21)24-19(27)14-7-4-8-16(11-14)25(28)29/h1-8,11,15H,9-10,12H2,(H,22,26)(H,24,27)