1-(3-chlorophenyl)-3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea CAS Name: 1-(3-chlorophenyl)-3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]thiourea Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NNC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NNC(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H14ClN5O2S/c18-11-4-3-5-12(8-11)20-17(26)22-21-15(24)9-23-10-19-14-7-2-1-6-13(14)16(23)25/h1-8,10H,9H2,(H,21,24)(H2,20,22,26)