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

Systemtic Name: methyl 4-[[2-(cyclohexylcarbonylamino)-1,3-benzothiazol-6-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]carbamoyl]benzoate CAS Name: 4-[[[2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]carbamoyl]benzoate Traditional Name: 4-[[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CCCCC4

InChI

InChI=1S/C23H23N3O4S/c1-30-22(29)16-9-7-15(8-10-16)20(27)24-17-11-12-18-19(13-17)31-23(25-18)26-21(28)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,24,27)(H,25,26,28)