methyl 6-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(9,10-dioxo-1-anthryl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(9,10-dioxo-1-anthracenyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(9,10-dioxoanthracen-1-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(9,10-diketo-1-anthryl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H15ClN2O4S2 MolecularWeight: 506.9806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C25H15ClN2O4S2/c1-32-24(31)23-20(26)15-10-9-12(11-18(15)34-23)27-25(33)28-17-8-4-7-16-19(17)22(30)14-6-3-2-5-13(14)21(16)29/h2-11H,1H3,(H2,27,28,33)