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

Systemtic Name: 1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)-1-propyl-thiourea Openeye Name: 3-benzyl-1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1-propyl-thiourea CAS Name: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)-1-propylthiourea IUPAC Name: 3-benzyl-1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1-propylthiourea Traditional Name: 3-benzyl-1-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-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)NCC3=CC=CC=C3

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4OS/c1-2-10-25(20(27)22-12-14-6-4-3-5-7-14)13-18-23-17-11-15(21)8-9-16(17)19(26)24-18/h3-9,11H,2,10,12-13H2,1H3,(H,22,27)(H,23,24,26)