1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-phenyl-1,3-thiazol-5-yl)carbonylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-phenyl-1,3-thiazol-5-yl)carbonylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-phenylthiazole-5-carbonyl)amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[oxo-(2-phenyl-5-thiazolyl)methyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea Traditional Name: 1-homoveratryl-3-[(2-phenylthiazole-5-carbonyl)amino]thiourea Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CN=C(S2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CN=C(S2)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N4O3S2/c1-27-16-9-8-14(12-17(16)28-2)10-11-22-21(29)25-24-19(26)18-13-23-20(30-18)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,24,26)(H2,22,25,29)