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

Systemtic Name: 1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-phenethyl-1-propyl-thiourea Openeye Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-phenethyl-1-propyl-thiourea CAS Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-phenethyl-1-propylthiourea IUPAC Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-phenethyl-1-propylthiourea Traditional Name: 1-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-phenethyl-1-propyl-thiourea Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4OS/c1-2-12-26(21(28)23-11-10-15-6-4-3-5-7-15)14-19-24-18-13-16(22)8-9-17(18)20(27)25-19/h3-9,13H,2,10-12,14H2,1H3,(H,23,28)(H,24,25,27)