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

Systemtic Name: methyl 3-chloranyl-6-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H11Cl2N3O2S3 MolecularWeight: 468.39984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl)Cl

InChI

InChI=1S/C18H11Cl2N3O2S3/c1-25-16(24)15-13(20)9-6-5-8(7-12(9)27-15)21-17(26)23-18-22-14-10(19)3-2-4-11(14)28-18/h2-7H,1H3,(H2,21,22,23,26)