1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-homoveratryl-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O4S/c1-13-10-20(24)27-18-12-15(5-6-16(13)18)23-21(28)22-9-8-14-4-7-17(25-2)19(11-14)26-3/h4-7,10-12H,8-9H2,1-3H3,(H2,22,23,28)