N-aminocarbonyl-2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H29N5O5S/c1-12(19(27)23-20(22)28)32-21-25-24-18(26(21)14-8-6-5-7-9-14)13-10-15(29-2)17(31-4)16(11-13)30-3/h10-12,14H,5-9H2,1-4H3,(H3,22,23,27,28)