1-[4-[(3-chlorophenyl)amino]quinazolin-6-yl]-3-phenyl-thiourea

Systemtic Name: 1-[4-[(3-chlorophenyl)amino]quinazolin-6-yl]-3-phenyl-thiourea Openeye Name: 1-[4-(3-chloroanilino)quinazolin-6-yl]-3-phenyl-thiourea CAS Name: 1-[4-(3-chloroanilino)-6-quinazolinyl]-3-phenylthiourea IUPAC Name: 1-[4-(3-chloroanilino)quinazolin-6-yl]-3-phenylthiourea Traditional Name: 1-[4-(3-chloroanilino)quinazolin-6-yl]-3-phenyl-thiourea Formula: C21H16ClN5S MolecularWeight: 405.90324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16ClN5S/c22-14-5-4-8-16(11-14)25-20-18-12-17(9-10-19(18)23-13-24-20)27-21(28)26-15-6-2-1-3-7-15/h1-13H,(H,23,24,25)(H2,26,27,28)