N-[2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-2-keto-ethyl]-3,4-dimethyl-benzamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCCCC2=NN=C(N2C3CCCC3)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCCCC2=NN=C(N2C3CCCC3)SC)C

InChI

InChI=1S/C22H31N5O2S/c1-15-10-11-17(13-16(15)2)21(29)24-14-20(28)23-12-6-9-19-25-26-22(30-3)27(19)18-7-4-5-8-18/h10-11,13,18H,4-9,12,14H2,1-3H3,(H,23,28)(H,24,29)