3,5-diacetamido-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide

Systemtic Name: 3,5-diacetamido-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide Openeye Name: 3,5-diacetamido-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide CAS Name: 3,5-diacetamido-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzamide IUPAC Name: 3,5-diacetamido-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide Traditional Name: 3,5-diacetamido-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzamide Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)NCCCC2=NN=C(N2C3CCCC3)SC)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)NCCCC2=NN=C(N2C3CCCC3)SC)NC(=O)C

InChI

InChI=1S/C22H30N6O3S/c1-14(29)24-17-11-16(12-18(13-17)25-15(2)30)21(31)23-10-6-9-20-26-27-22(32-3)28(20)19-7-4-5-8-19/h11-13,19H,4-10H2,1-3H3,(H,23,31)(H,24,29)(H,25,30)