4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-N-phenyl-2-(prop-2-enylamino)-1,3,4-thiadiazine-5-carboxamide bromide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-N-phenyl-2-(prop-2-enylamino)-1,3,4-thiadiazine-5-carboxamide bromide Openeye Name: 2-(allylamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-N-phenyl-1,3,4-thiadiazine-5-carboxamide bromide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-N-phenyl-2-(prop-2-enylamino)-1,3,4-thiadiazine-5-carboxamide bromide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-N-phenyl-2-(prop-2-enylamino)-1,3,4-thiadiazine-5-carboxamide bromide Traditional Name: 2-(allylamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-N-phenyl-1,3,4-thiadiazine-5-carboxamide bromide Formula: C22H22BrN4O3S- MolecularWeight: 502.40408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C(S1)NCC=C)C2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=C(N(N=C(S1)NCC=C)C2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H22N4O3S.BrH/c1-3-11-23-22-25-26(17-9-10-18-19(14-17)29-13-12-28-18)20(15(2)30-22)21(27)24-16-7-5-4-6-8-16;/h3-10,14H,1,11-13H2,2H3,(H,23,25)(H,24,27);1H/p-1