6,7-dimethyl-3-(prop-2-enylamino)-N-(prop-2-enylcarbamothioyl)quinoxaline-2-carboxamide

Systemtic Name: 6,7-dimethyl-3-(prop-2-enylamino)-N-(prop-2-enylcarbamothioyl)quinoxaline-2-carboxamide Openeye Name: 3-(allylamino)-N-(allylcarbamothioyl)-6,7-dimethyl-quinoxaline-2-carboxamide CAS Name: 6,7-dimethyl-3-(prop-2-enylamino)-N-[(prop-2-enylamino)-sulfanylidenemethyl]-2-quinoxalinecarboxamide IUPAC Name: 6,7-dimethyl-3-(prop-2-enylamino)-N-(prop-2-enylcarbamothioyl)quinoxaline-2-carboxamide Traditional Name: 3-(allylamino)-N-(allylthiocarbamoyl)-6,7-dimethyl-quinoxaline-2-carboxamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C(=N2)C(=O)NC(=S)NCC=C)NCC=C

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=N2)C(=O)NC(=S)NCC=C)NCC=C

InChI

InChI=1S/C18H21N5OS/c1-5-7-19-16-15(17(24)23-18(25)20-8-6-2)21-13-9-11(3)12(4)10-14(13)22-16/h5-6,9-10H,1-2,7-8H2,3-4H3,(H,19,22)(H2,20,23,24,25)