1-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]-3-phenethyl-thiourea Openeye Name: 1-[[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]amino]-3-phenethyl-thiourea CAS Name: 1-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]amino]-3-phenethylthiourea IUPAC Name: 1-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]-3-phenethylthiourea Traditional Name: 1-[[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]amino]-3-phenethyl-thiourea Formula: C25H23N5O2S2 MolecularWeight: 489.61242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C25H23N5O2S2/c31-22(28-29-24(33)26-16-15-18-9-3-1-4-10-18)17-34-25-27-21-14-8-7-13-20(21)23(32)30(25)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,28,31)(H2,26,29,33)