N-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-[(4-phenoxyphenyl)methylamino]propan-2-yl]thiomorpholine-3-carboxamide

Systemtic Name: N-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-[(4-phenoxyphenyl)methylamino]propan-2-yl]thiomorpholine-3-carboxamide Openeye Name: N-[1-(cyclohexylmethylsulfanylmethyl)-2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]thiomorpholine-3-carboxamide CAS Name: N-[3-(cyclohexylmethylthio)-1-oxo-1-[(4-phenoxyphenyl)methylamino]propan-2-yl]-3-thiomorpholinecarboxamide IUPAC Name: N-[3-(cyclohexylmethylsulfanyl)-1-oxo-1-[(4-phenoxyphenyl)methylamino]propan-2-yl]thiomorpholine-3-carboxamide Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(4-phenoxybenzyl)amino]ethyl]thiomorpholine-3-carboxamide Formula: C28H37N3O3S2 MolecularWeight: 527.74168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSCC(C(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)NC(=O)C4CSCCN4

Isomeric SMILES

C1CCC(CC1)CSCC(C(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)NC(=O)C4CSCCN4

InChI

InChI=1S/C28H37N3O3S2/c32-27(30-17-21-11-13-24(14-12-21)34-23-9-5-2-6-10-23)26(20-36-18-22-7-3-1-4-8-22)31-28(33)25-19-35-16-15-29-25/h2,5-6,9-14,22,25-26,29H,1,3-4,7-8,15-20H2,(H,30,32)(H,31,33)