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

Systemtic Name: methyl 4-[(6-methylsulfanyl-1,3-benzothiazol-2-yl)-(phenylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[benzyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[[6-(methylthio)-1,3-benzothiazol-2-yl]-(phenylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[benzyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[benzyl-[6-(methylthio)-1,3-benzothiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C24H20N2O3S2 MolecularWeight: 448.5572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C24H20N2O3S2/c1-29-23(28)18-10-8-17(9-11-18)22(27)26(15-16-6-4-3-5-7-16)24-25-20-13-12-19(30-2)14-21(20)31-24/h3-14H,15H2,1-2H3