methyl 3-chloranyl-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H18ClN3O2S3 MolecularWeight: 524.07732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

InChI

InChI=1S/C25H18ClN3O2S3/c1-13-3-10-18-20(11-13)34-23(29-18)14-4-6-15(7-5-14)27-25(32)28-16-8-9-17-19(12-16)33-22(21(17)26)24(30)31-2/h3-12H,1-2H3,(H2,27,28,32)