N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(1-naphthyl)thiazol-2-yl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[4-(1-naphthalenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(1-naphthyl)thiazol-2-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H14N4O3S2 MolecularWeight: 434.49086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CSC(=N3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CSC(=N3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O3S2/c26-19(14-7-3-8-15(11-14)25(27)28)23-20(29)24-21-22-18(12-30-21)17-10-4-6-13-5-1-2-9-16(13)17/h1-12H,(H2,22,23,24,26,29)