4-[1-[4-(1,3-benzothiazol-2-yl)-2-(propylamino)piperidin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-(1,3-benzothiazol-2-yl)-2-(propylamino)piperidin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-(1,3-benzothiazol-2-yl)-2-(propylamino)-1-piperidyl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-(1,3-benzothiazol-2-yl)-2-(propylamino)-1-piperidinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-(1,3-benzothiazol-2-yl)-2-(propylamino)piperidin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-(1,3-benzothiazol-2-yl)-2-(propylamino)piperidino]hexyl]-2-methyl-benzonitrile Formula: C29H38N4S MolecularWeight: 474.70382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCC(CC2NCCC)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCC(CC2NCCC)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C29H38N4S/c1-4-6-7-11-26(22-13-14-24(20-30)21(3)18-22)33-17-15-23(19-28(33)31-16-5-2)29-32-25-10-8-9-12-27(25)34-29/h8-10,12-14,18,23,26,28,31H,4-7,11,15-17,19H2,1-3H3