(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-N-(cyclohexylcarbamoyl)propionamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H31N5O2S/c1-16(21(28)25-22(29)23-17-7-3-2-4-8-17)27-13-11-26(12-14-27)15-20-24-18-9-5-6-10-19(18)30-20/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H2,23,25,28,29)/t16-/m1/s1