2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylanilino)-oxomethyl]propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylphenyl)carbamoyl]propionamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NN=C(N2N)C3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NN=C(N2N)C3CCCCC3)C

InChI

InChI=1S/C20H28N6O2S/c1-12-9-10-16(13(2)11-12)22-19(28)23-18(27)14(3)29-20-25-24-17(26(20)21)15-7-5-4-6-8-15/h9-11,14-15H,4-8,21H2,1-3H3,(H2,22,23,27,28)