methyl 4-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C25H22N2O3S/c1-16-9-14-21-22(17(16)2)26-25(31-21)27(15-18-7-5-4-6-8-18)23(28)19-10-12-20(13-11-19)24(29)30-3/h4-14H,15H2,1-3H3