methyl 6-[[2-(azepan-1-yl)-5-chloranyl-phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(azepan-1-yl)-5-chloranyl-phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[2-(azepan-1-yl)-5-chloro-phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[2-(1-azepanyl)-5-chloroanilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(azepan-1-yl)-5-chlorophenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[2-(azepan-1-yl)-5-chloro-phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H30ClN3O2S MolecularWeight: 411.9891

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCCC2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCCC2

InChI

InChI=1S/C20H30ClN3O2S/c1-26-19(25)9-5-4-6-12-22-20(27)23-17-15-16(21)10-11-18(17)24-13-7-2-3-8-14-24/h10-11,15H,2-9,12-14H2,1H3,(H2,22,23,27)