N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide Traditional Name: N-homoveratryl-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32)OC

InChI

InChI=1S/C24H30N4O3S/c1-30-20-12-11-17(16-21(20)31-2)13-15-25-22(29)10-4-3-7-14-26-23-18-8-5-6-9-19(18)27-24(32)28-23/h5-6,8-9,11-12,16H,3-4,7,10,13-15H2,1-2H3,(H,25,29)(H2,26,27,28,32)