methyl 3-chloranyl-6-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(5,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H16ClN3O2S3 MolecularWeight: 462.00794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C20H16ClN3O2S3/c1-9-6-13-15(7-10(9)2)29-20(23-13)24-19(27)22-11-4-5-12-14(8-11)28-17(16(12)21)18(25)26-3/h4-8H,1-3H3,(H2,22,23,24,27)