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

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-[3-(cyclopropanecarbonylamino)benzyl]benzamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C27H33N3O3S/c31-25(28-16-19-7-2-1-3-8-19)18-34-24-12-5-4-11-23(24)27(33)29-17-20-9-6-10-22(15-20)30-26(32)21-13-14-21/h4-6,9-12,15,19,21H,1-3,7-8,13-14,16-18H2,(H,28,31)(H,29,33)(H,30,32)