methyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(methylthio)-1,3-benzothiazol-6-yl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H15N3O3S3 MolecularWeight: 417.525

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C18H15N3O3S3/c1-24-16(23)11-5-3-10(4-6-11)15(22)21-17(25)19-12-7-8-13-14(9-12)27-18(20-13)26-2/h3-9H,1-2H3,(H2,19,21,22,25)