4-(1,3-benzothiazol-2-yl)-1-[4-[4-(2-methylpropyl)phenyl]carbonylpiperidin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[4-(2-methylpropyl)phenyl]carbonylpiperidin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-isobutylbenzoyl)-1-piperidyl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[[4-(2-methylpropyl)phenyl]-oxomethyl]-1-piperidinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-isobutylbenzoyl)piperidino]butan-1-one Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C27H32N2O2S/c1-19(2)18-20-10-12-21(13-11-20)27(31)22-14-16-29(17-15-22)26(30)9-5-8-25-28-23-6-3-4-7-24(23)32-25/h3-4,6-7,10-13,19,22H,5,8-9,14-18H2,1-2H3