1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-benzothiazol-5-yl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-benzothiazol-5-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-benzothiazol-5-yl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-benzothiazol-5-yl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methyl-1,3-benzothiazol-5-yl)thiourea Traditional Name: 1-homoveratryl-3-(2-methyl-1,3-benzothiazol-5-yl)thiourea Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H21N3O2S2/c1-12-21-15-11-14(5-7-18(15)26-12)22-19(25)20-9-8-13-4-6-16(23-2)17(10-13)24-3/h4-7,10-11H,8-9H2,1-3H3,(H2,20,22,25)