1-(2,3-dihydro-1H-inden-5-ylcarbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylcarbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(indane-5-carbonylamino)thiourea CAS Name: 1-[[2,3-dihydro-1H-inden-5-yl(oxo)methyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-homoveratryl-3-(indane-5-carbonylamino)thiourea Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC3=C(CCC3)C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC3=C(CCC3)C=C2)OC

InChI

InChI=1S/C21H25N3O3S/c1-26-18-9-6-14(12-19(18)27-2)10-11-22-21(28)24-23-20(25)17-8-7-15-4-3-5-16(15)13-17/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)(H2,22,24,28)