(2S)-2-azanyl-4-methyl-N-[4-(4-piperazin-1-ylphenyl)-1,2-thiazol-3-yl]pentanamide

Systemtic Name: (2S)-2-azanyl-4-methyl-N-[4-(4-piperazin-1-ylphenyl)-1,2-thiazol-3-yl]pentanamide Openeye Name: (2S)-2-amino-4-methyl-N-[4-(4-piperazin-1-ylphenyl)isothiazol-3-yl]pentanamide CAS Name: (2S)-2-amino-4-methyl-N-[4-[4-(1-piperazinyl)phenyl]-3-isothiazolyl]pentanamide IUPAC Name: (2S)-2-amino-4-methyl-N-[4-(4-piperazin-1-ylphenyl)-1,2-thiazol-3-yl]pentanamide Traditional Name: (2S)-2-amino-4-methyl-N-[4-(4-piperazinophenyl)isothiazol-3-yl]valeramide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=NSC=C1C2=CC=C(C=C2)N3CCNCC3)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=NSC=C1C2=CC=C(C=C2)N3CCNCC3)N

InChI

InChI=1S/C19H27N5OS/c1-13(2)11-17(20)19(25)22-18-16(12-26-23-18)14-3-5-15(6-4-14)24-9-7-21-8-10-24/h3-6,12-13,17,21H,7-11,20H2,1-2H3,(H,22,23,25)/t17-/m0/s1