N-(2-acetamidoethyl)-3-[(4-decoxyphenyl)carbonylamino]-4-methylsulfanyl-benzamide

Systemtic Name: N-(2-acetamidoethyl)-3-[(4-decoxyphenyl)carbonylamino]-4-methylsulfanyl-benzamide Openeye Name: N-(2-acetamidoethyl)-3-[(4-decoxybenzoyl)amino]-4-methylsulfanyl-benzamide CAS Name: N-(2-acetamidoethyl)-3-[[(4-decoxyphenyl)-oxomethyl]amino]-4-(methylthio)benzamide IUPAC Name: N-(2-acetamidoethyl)-3-[(4-decoxybenzoyl)amino]-4-methylsulfanylbenzamide Traditional Name: N-(2-acetamidoethyl)-3-[(4-decoxybenzoyl)amino]-4-(methylthio)benzamide Formula: C29H41N3O4S MolecularWeight: 527.71854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCNC(=O)C)SC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCNC(=O)C)SC

InChI

InChI=1S/C29H41N3O4S/c1-4-5-6-7-8-9-10-11-20-36-25-15-12-23(13-16-25)29(35)32-26-21-24(14-17-27(26)37-3)28(34)31-19-18-30-22(2)33/h12-17,21H,4-11,18-20H2,1-3H3,(H,30,33)(H,31,34)(H,32,35)