4-[2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[[4-(3-amino-3-keto-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C21H27N7O3S MolecularWeight: 457.54918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H27N7O3S/c22-17(29)8-9-28-19(15-6-7-15)24-25-21(28)32-14-18(30)26-10-12-27(13-11-26)20(31)23-16-4-2-1-3-5-16/h1-5,15H,6-14H2,(H2,22,29)(H,23,31)