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

Systemtic Name: methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[1-(1,3-benzothiazol-2-yl)-3-piperidyl]carbamoyl]benzoate CAS Name: 4-[[[1-(1,3-benzothiazol-2-yl)-3-piperidinyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]carbamoyl]benzoate Traditional Name: 4-[[1-(1,3-benzothiazol-2-yl)-3-piperidyl]carbamoyl]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O3S/c1-27-20(26)15-10-8-14(9-11-15)19(25)22-16-5-4-12-24(13-16)21-23-17-6-2-3-7-18(17)28-21/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,25)