tert-butyl 4-[5-[(2-azanyl-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methyl-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[(2-azanyl-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methyl-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(2-aminothiazol-5-yl)sulfanyl-2-methoxy-4-methyl-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[5-[(2-amino-5-thiazolyl)thio]-2-methoxy-4-methylphenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-2-methoxy-4-methylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[5-[(2-aminothiazol-5-yl)thio]-2-methoxy-4-methyl-benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)SC3=CN=C(S3)N

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)SC3=CN=C(S3)N

InChI

InChI=1S/C21H28N4O4S2/c1-13-10-15(28-5)14(11-16(13)30-17-12-23-19(22)31-17)18(26)24-6-8-25(9-7-24)20(27)29-21(2,3)4/h10-12H,6-9H2,1-5H3,(H2,22,23)