1-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[2-(1-azepanyl)-5-chlorophenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-chlorophenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)-5-chloro-phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C20H32ClN4OS+ MolecularWeight: 412.01228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H31ClN4OS/c21-17-6-7-19(25-10-3-1-2-4-11-25)18(16-17)23-20(27)22-8-5-9-24-12-14-26-15-13-24/h6-7,16H,1-5,8-15H2,(H2,22,23,27)/p+1