1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-homoveratryl-thiourea Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H23N3O2S2/c1-12-9-15-18(10-13(12)2)27-20(22-15)23-19(26)21-8-7-14-5-6-16(24-3)17(11-14)25-4/h5-6,9-11H,7-8H2,1-4H3,(H2,21,22,23,26)