methyl 3-chloranyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[sulfanylidene-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C18H16ClN3O2S3 MolecularWeight: 437.98654

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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)CCCC4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NC4=C(S3)CCCC4)Cl

InChI

InChI=1S/C18H16ClN3O2S3/c1-24-16(23)15-14(19)10-7-6-9(8-13(10)26-15)20-17(25)22-18-21-11-4-2-3-5-12(11)27-18/h6-8H,2-5H2,1H3,(H2,20,21,22,25)