1-(6-ethoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(6-ethoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(6-ethoxy-2,2-dimethyl-chroman-4-yl)-3-(3-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(6-ethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-(3-ethylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(6-ethoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(6-ethoxy-2,2-dimethyl-chroman-4-yl)-3-(3-ethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C28H40N3O3S+ MolecularWeight: 498.7005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N(CC[NH+]2CCOCC2)C3CC(OC4=C3C=C(C=C4)OCC)(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(CC[NH+]2CCOCC2)C3CC(OC4=C3C=C(C=C4)OCC)(C)C

InChI

InChI=1S/C28H39N3O3S/c1-5-21-8-7-9-22(18-21)29-27(35)31(13-12-30-14-16-32-17-15-30)25-20-28(3,4)34-26-11-10-23(33-6-2)19-24(25)26/h7-11,18-19,25H,5-6,12-17,20H2,1-4H3,(H,29,35)/p+1