3-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(4-methoxyphenyl)amino]propanamide

Systemtic Name: 3-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(4-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methoxy-anilino)propanamide CAS Name: 3-(N-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-methoxyanilino)propanamide Traditional Name: 3-(N-[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]-4-methoxy-anilino)propionamide Formula: C20H28N6O3S MolecularWeight: 432.53972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C20H28N6O3S/c1-29-16-9-7-15(8-10-16)25(12-11-17(21)27)18(28)13-30-20-24-23-19(26(20)22)14-5-3-2-4-6-14/h7-10,14H,2-6,11-13,22H2,1H3,(H2,21,27)