N-[4-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]butanamide CAS Name: N-[4-[2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]phenyl]butyramide Formula: C22H29N5O2S MolecularWeight: 427.56296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C22H29N5O2S/c1-2-6-20(29)23-17-9-7-16(8-10-17)19(28)15-30-22-25-24-21(27(22)18-11-12-18)26-13-4-3-5-14-26/h7-10,18H,2-6,11-15H2,1H3,(H,23,29)