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

Systemtic Name: 1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-1-propyl-thiourea Openeye Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-1-propyl-thiourea CAS Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-1-propylthiourea IUPAC Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-1-propylthiourea Traditional Name: 1-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-1-propyl-thiourea Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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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=C3)OC

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21ClN4O2S/c1-3-9-25(20(28)22-14-5-4-6-15(11-14)27-2)12-18-23-17-10-13(21)7-8-16(17)19(26)24-18/h4-8,10-11H,3,9,12H2,1-2H3,(H,22,28)(H,23,24,26)