1-[2-(2-ethyl-6-iodanyl-4-oxidanylidene-quinazolin-3-yl)ethyl]-3-phenyl-1-propan-2-yl-thiourea

Systemtic Name: 1-[2-(2-ethyl-6-iodanyl-4-oxidanylidene-quinazolin-3-yl)ethyl]-3-phenyl-1-propan-2-yl-thiourea Openeye Name: 1-[2-(2-ethyl-6-iodo-4-oxo-quinazolin-3-yl)ethyl]-1-isopropyl-3-phenyl-thiourea CAS Name: 1-[2-(2-ethyl-6-iodo-4-oxo-3-quinazolinyl)ethyl]-3-phenyl-1-propan-2-ylthiourea IUPAC Name: 1-[2-(2-ethyl-6-iodo-4-oxoquinazolin-3-yl)ethyl]-3-phenyl-1-propan-2-ylthiourea Traditional Name: 1-[2-(2-ethyl-6-iodo-4-keto-quinazolin-3-yl)ethyl]-1-isopropyl-3-phenyl-thiourea Formula: C22H25IN4OS MolecularWeight: 520.42957

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)I)C(=O)N1CCN(C(C)C)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)I)C(=O)N1CCN(C(C)C)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H25IN4OS/c1-4-20-25-19-11-10-16(23)14-18(19)21(28)27(20)13-12-26(15(2)3)22(29)24-17-8-6-5-7-9-17/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,29)