2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-[4-(4-ethyl-1-piperazinyl)phenyl]benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-[4-(4-ethylpiperazino)phenyl]benzamide Formula: C28H38N4O2S MolecularWeight: 494.69192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

InChI

InChI=1S/C28H38N4O2S/c1-2-31-16-18-32(19-17-31)24-14-12-23(13-15-24)30-28(34)25-10-6-7-11-26(25)35-21-27(33)29-20-22-8-4-3-5-9-22/h6-7,10-15,22H,2-5,8-9,16-21H2,1H3,(H,29,33)(H,30,34)