1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(4-oxoquinazolin-3-yl)butanoylamino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(4-oxoquinazolin-3-yl)butanoylamino]thiourea Traditional Name: 1-homoveratryl-3-[4-(4-ketoquinazolin-3-yl)butanoylamino]thiourea Formula: C23H27N5O4S MolecularWeight: 469.55658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CCCN2C=NC3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CCCN2C=NC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C23H27N5O4S/c1-31-19-10-9-16(14-20(19)32-2)11-12-24-23(33)27-26-21(29)8-5-13-28-15-25-18-7-4-3-6-17(18)22(28)30/h3-4,6-7,9-10,14-15H,5,8,11-13H2,1-2H3,(H,26,29)(H2,24,27,33)