1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-oxo-4-phenyl-butanoyl)amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(1,4-dioxo-4-phenylbutyl)amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-oxo-4-phenylbutanoyl)amino]thiourea Traditional Name: 1-homoveratryl-3-[(4-keto-4-phenyl-butanoyl)amino]thiourea Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CCC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CCC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H25N3O4S/c1-27-18-10-8-15(14-19(18)28-2)12-13-22-21(29)24-23-20(26)11-9-17(25)16-6-4-3-5-7-16/h3-8,10,14H,9,11-13H2,1-2H3,(H,23,26)(H2,22,24,29)