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

Systemtic Name: 2-azanyl-N-[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-amino-N-[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]thiazole-4-carboxamide CAS Name: 2-amino-N-[3-(cyclohexylmethylthio)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-thiazolecarboxamide IUPAC Name: 2-amino-N-[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-amino-N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-(p-anisylamino)ethyl]thiazole-4-carboxamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3S2/c1-29-17-9-7-15(8-10-17)11-24-20(27)18(13-30-12-16-5-3-2-4-6-16)25-21(28)19-14-31-22(23)26-19/h7-10,14,16,18H,2-6,11-13H2,1H3,(H2,23,26)(H,24,27)(H,25,28)