1-[(S)-(4-methoxyphenyl)-phenyl-methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(S)-(4-methoxyphenyl)-phenyl-methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(S)-(4-methoxyphenyl)-phenyl-methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(S)-(4-methoxyphenyl)-phenyl-methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O2S/c1-26-20-10-8-19(9-11-20)21(18-6-3-2-4-7-18)24-22(28)23-12-5-13-25-14-16-27-17-15-25/h2-4,6-11,21H,5,12-17H2,1H3,(H2,23,24,28)/p+1/t21-/m0/s1