N-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]-4-tert-butyl-benzamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H31N3O2S/c1-26(2,3)20-10-8-18(9-11-20)24(31)27-15-12-23(30)29-16-13-19(14-17-29)25-28-21-6-4-5-7-22(21)32-25/h4-11,19H,12-17H2,1-3H3,(H,27,31)