1-[3-(diethylaminomethyl)-4-methoxy-phenyl]-3-(4-hexoxyphenyl)thiourea hydrochloride

Systemtic Name: 1-[3-(diethylaminomethyl)-4-methoxy-phenyl]-3-(4-hexoxyphenyl)thiourea hydrochloride Openeye Name: 1-[3-(diethylaminomethyl)-4-methoxy-phenyl]-3-(4-hexoxyphenyl)thiourea hydrochloride CAS Name: 1-[3-(diethylaminomethyl)-4-methoxyphenyl]-3-(4-hexoxyphenyl)thiourea hydrochloride IUPAC Name: 1-[3-(diethylaminomethyl)-4-methoxyphenyl]-3-(4-hexoxyphenyl)thiourea hydrochloride Traditional Name: 1-[3-(diethylaminomethyl)-4-methoxy-phenyl]-3-(4-hexoxyphenyl)thiourea hydrochloride Formula: C25H38ClN3O2S MolecularWeight: 480.10612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)CN(CC)CC.Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)CN(CC)CC.Cl

InChI

InChI=1S/C25H37N3O2S.ClH/c1-5-8-9-10-17-30-23-14-11-21(12-15-23)26-25(31)27-22-13-16-24(29-4)20(18-22)19-28(6-2)7-3;/h11-16,18H,5-10,17,19H2,1-4H3,(H2,26,27,31);1H