N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C24H20N4O6S MolecularWeight: 492.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])N2

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])N2

InChI

InChI=1S/C24H20N4O6S/c1-12-8-17-21(9-13(12)2)34-23(26-17)16-11-15(5-6-19(16)29)25-24(35)27-22(30)14-4-7-20(33-3)18(10-14)28(31)32/h4-11,26H,1-3H3,(H2,25,27,30,35)