N-[(2-chlorophenyl)methyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide Openeye Name: N-[(2-chlorophenyl)methyl]-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanamide CAS Name: N-[(2-chlorophenyl)methyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide Traditional Name: N-(2-chlorobenzyl)-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32)Cl

InChI

InChI=1S/C21H23ClN4OS/c22-17-10-5-3-8-15(17)14-24-19(27)12-2-1-7-13-23-20-16-9-4-6-11-18(16)25-21(28)26-20/h3-6,8-11H,1-2,7,12-14H2,(H,24,27)(H2,23,25,26,28)