O-tert-butyl 4-[(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)carbonyl]piperazine-1-carbothioate

Systemtic Name: O-tert-butyl 4-[(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)carbonyl]piperazine-1-carbothioate Openeye Name: O-tert-butyl 4-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carbonyl)piperazine-1-carbothioate CAS Name: 4-[(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-oxomethyl]-1-piperazinecarbothioic acid O-tert-butyl ester IUPAC Name: O-tert-butyl 4-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carbonyl)piperazine-1-carbothioate Traditional Name: 4-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carbonyl)piperazine-1-carbothioic acid O-tert-butyl ester Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=S)N1CCN(CC1)C(=O)N2CCSC3=C(C2)C=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=S)N1CCN(CC1)C(=O)N2CCSC3=C(C2)C=C(C=C3)OC

InChI

InChI=1S/C20H29N3O3S2/c1-20(2,3)26-19(27)22-9-7-21(8-10-22)18(24)23-11-12-28-17-6-5-16(25-4)13-15(17)14-23/h5-6,13H,7-12,14H2,1-4H3