2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C26H31N3O3S/c30-24(27-16-18-7-2-1-3-8-18)17-33-23-12-5-4-11-22(23)26(32)29-21-10-6-9-19(15-21)25(31)28-20-13-14-20/h4-6,9-12,15,18,20H,1-3,7-8,13-14,16-17H2,(H,27,30)(H,28,31)(H,29,32)