N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-propyl-cyclohexanecarboxamide

Systemtic Name: N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-propyl-cyclohexanecarboxamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-propyl-cyclohexanecarboxamide CAS Name: N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-N-propylcyclohexanecarboxamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclohexanecarboxamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-propyl-cyclohexanecarboxamide Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)C(=O)C3CCCCC3

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)C(=O)C3CCCCC3

InChI

InChI=1S/C25H34N2O2S/c1-3-15-26(25(29)22-12-8-5-9-13-22)19-24(28)27(17-21-10-6-4-7-11-21)18-23-20(2)14-16-30-23/h4,6-7,10-11,14,16,22H,3,5,8-9,12-13,15,17-19H2,1-2H3