N-[3-[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[1-[(4-acetamidophenyl)carbamoyl]propylsulfanyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-[[1-(4-acetamidoanilino)-1-oxobutan-2-yl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[1-(4-acetamidoanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[1-[(4-acetamidophenyl)carbamoyl]propylthio]phenyl]cyclohexanecarboxamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C25H31N3O3S/c1-3-23(25(31)27-20-14-12-19(13-15-20)26-17(2)29)32-22-11-7-10-21(16-22)28-24(30)18-8-5-4-6-9-18/h7,10-16,18,23H,3-6,8-9H2,1-2H3,(H,26,29)(H,27,31)(H,28,30)