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

Systemtic Name: methyl 4-[[6-(butan-2-ylcarbamoyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[6-(sec-butylcarbamoyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[6-[(butan-2-ylamino)-oxomethyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(butan-2-ylcarbamoyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[6-(sec-butylcarbamoyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-4-12(2)22-19(26)15-9-10-16-17(11-15)29-21(23-16)24-18(25)13-5-7-14(8-6-13)20(27)28-3/h5-12H,4H2,1-3H3,(H,22,26)(H,23,24,25)