O-phenyl N-[2-tert-butyl-5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate

Systemtic Name: O-phenyl N-[2-tert-butyl-5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Openeye Name: O-phenyl N-[2-tert-butyl-5-(4-methyl-1-piperidyl)-1,3-benzothiazol-6-yl]carbamothioate CAS Name: N-[2-tert-butyl-5-(4-methyl-1-piperidinyl)-1,3-benzothiazol-6-yl]carbamothioic acid O-phenyl ester IUPAC Name: O-phenyl N-[2-tert-butyl-5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]carbamothioate Traditional Name: N-[2-tert-butyl-5-(4-methylpiperidino)-1,3-benzothiazol-6-yl]thiocarbamic acid O-phenyl ester Formula: C24H29N3OS2 MolecularWeight: 439.63656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)NC(=S)OC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)NC(=S)OC4=CC=CC=C4

InChI

InChI=1S/C24H29N3OS2/c1-16-10-12-27(13-11-16)20-14-19-21(30-22(25-19)24(2,3)4)15-18(20)26-23(29)28-17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3,(H,26,29)