3-(5-chloranyl-2-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(5-chloro-2-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thenyl)thiourea Formula: C20H27ClN3O2S2+ MolecularWeight: 441.03028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=CS3

InChI

InChI=1S/C20H26ClN3O2S2/c1-25-19-6-5-16(21)14-18(19)22-20(27)24(15-17-4-2-13-28-17)8-3-7-23-9-11-26-12-10-23/h2,4-6,13-14H,3,7-12,15H2,1H3,(H,22,27)/p+1