methyl 4-[[4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[[4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidin-1-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[4-(5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-yl)piperidine-1-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[oxo-[4-(5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-yl)-1-piperidinyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[4-(5,6,7,8-tetrahydro-4H-thiazol[4,5-d]azepin-2-yl)piperidine-1-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C21H33ClN4O3S MolecularWeight: 457.02972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)N2CCC(CC2)C3=NC4=C(S3)CCNCC4.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)N2CCC(CC2)C3=NC4=C(S3)CCNCC4.Cl

InChI

InChI=1S/C21H32N4O3S.ClH/c1-28-20(26)15-2-4-16(5-3-15)23-21(27)25-12-8-14(9-13-25)19-24-17-6-10-22-11-7-18(17)29-19;/h14-16,22H,2-13H2,1H3,(H,23,27);1H