N-[1-[(4-acetamidophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-cyclohexane-1-carboxamide

Systemtic Name: N-[1-[(4-acetamidophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-cyclohexane-1-carboxamide Openeye Name: N-[1-[(4-acetamidophenyl)carbamoyl]-3-methylsulfanyl-propyl]-4-methyl-cyclohexanecarboxamide CAS Name: N-[1-(4-acetamidoanilino)-4-(methylthio)-1-oxobutan-2-yl]-4-methyl-1-cyclohexanecarboxamide IUPAC Name: N-[1-(4-acetamidoanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide Traditional Name: N-[1-[(4-acetamidophenyl)carbamoyl]-3-(methylthio)propyl]-4-methyl-cyclohexanecarboxamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H31N3O3S/c1-14-4-6-16(7-5-14)20(26)24-19(12-13-28-3)21(27)23-18-10-8-17(9-11-18)22-15(2)25/h8-11,14,16,19H,4-7,12-13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)