N-[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]thiazole-4-carboxamide CAS Name: N-[3-(cyclohexylmethylthio)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-thiazolecarboxamide IUPAC Name: N-[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-(p-anisylamino)ethyl]thiazole-4-carboxamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CSCC2CCCCC2)NC(=O)C3=CSC=N3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C(CSCC2CCCCC2)NC(=O)C3=CSC=N3

InChI

InChI=1S/C22H29N3O3S2/c1-28-18-9-7-16(8-10-18)11-23-21(26)20(25-22(27)19-13-30-15-24-19)14-29-12-17-5-3-2-4-6-17/h7-10,13,15,17,20H,2-6,11-12,14H2,1H3,(H,23,26)(H,25,27)