(2S)-2-azanyl-4-methyl-N-[3-methyl-4-(4-piperazin-1-ylphenyl)-1,2-thiazol-5-yl]pentanamide

Systemtic Name: (2S)-2-azanyl-4-methyl-N-[3-methyl-4-(4-piperazin-1-ylphenyl)-1,2-thiazol-5-yl]pentanamide Openeye Name: (2S)-2-amino-4-methyl-N-[3-methyl-4-(4-piperazin-1-ylphenyl)isothiazol-5-yl]pentanamide CAS Name: (2S)-2-amino-4-methyl-N-[3-methyl-4-[4-(1-piperazinyl)phenyl]-5-isothiazolyl]pentanamide IUPAC Name: (2S)-2-amino-4-methyl-N-[3-methyl-4-(4-piperazin-1-ylphenyl)-1,2-thiazol-5-yl]pentanamide Traditional Name: (2S)-2-amino-4-methyl-N-[3-methyl-4-(4-piperazinophenyl)isothiazol-5-yl]valeramide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=CC=C(C=C2)N3CCNCC3)NC(=O)C(CC(C)C)N

Isomeric SMILES

CC1=NSC(=C1C2=CC=C(C=C2)N3CCNCC3)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C20H29N5OS/c1-13(2)12-17(21)19(26)23-20-18(14(3)24-27-20)15-4-6-16(7-5-15)25-10-8-22-9-11-25/h4-7,13,17,22H,8-12,21H2,1-3H3,(H,23,26)/t17-/m0/s1