1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(2-methylphenyl)-1-propyl-thiourea

Systemtic Name: 1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(2-methylphenyl)-1-propyl-thiourea Openeye Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(o-tolyl)-1-propyl-thiourea CAS Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(2-methylphenyl)-1-propylthiourea IUPAC Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(2-methylphenyl)-1-propylthiourea Traditional Name: 1-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(o-tolyl)-1-propyl-thiourea Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C20H21ClN4OS/c1-3-10-25(20(27)23-16-7-5-4-6-13(16)2)12-18-22-17-11-14(21)8-9-15(17)19(26)24-18/h4-9,11H,3,10,12H2,1-2H3,(H,23,27)(H,22,24,26)