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

Systemtic Name: methyl 4-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[benzyl-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[benzyl-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[benzyl-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C24H19ClN2O3S MolecularWeight: 450.93726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC)Cl

InChI

InChI=1S/C24H19ClN2O3S/c1-15-12-19(25)13-20-21(15)26-24(31-20)27(14-16-6-4-3-5-7-16)22(28)17-8-10-18(11-9-17)23(29)30-2/h3-13H,14H2,1-2H3