1-[5-(4-ethanoylphenyl)-6-methyl-4-phenyl-1,3,4-thiadiazin-2-yl]-3-prop-2-enyl-thiourea hydrobromide

Systemtic Name: 1-[5-(4-ethanoylphenyl)-6-methyl-4-phenyl-1,3,4-thiadiazin-2-yl]-3-prop-2-enyl-thiourea hydrobromide Openeye Name: 1-[5-(4-acetylphenyl)-6-methyl-4-phenyl-1,3,4-thiadiazin-2-yl]-3-allyl-thiourea hydrobromide CAS Name: 1-[5-(4-acetylphenyl)-6-methyl-4-phenyl-1,3,4-thiadiazin-2-yl]-3-prop-2-enylthiourea hydrobromide IUPAC Name: 1-[5-(4-acetylphenyl)-6-methyl-4-phenyl-1,3,4-thiadiazin-2-yl]-3-prop-2-enylthiourea hydrobromide Traditional Name: 1-[5-(4-acetylphenyl)-6-methyl-4-phenyl-1,3,4-thiadiazin-2-yl]-3-allyl-thiourea hydrobromide Formula: C22H23BrN4OS2 MolecularWeight: 503.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C(S1)NC(=S)NCC=C)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)C.Br

Isomeric SMILES

CC1=C(N(N=C(S1)NC(=S)NCC=C)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)C.Br

InChI

InChI=1S/C22H22N4OS2.BrH/c1-4-14-23-21(28)24-22-25-26(19-8-6-5-7-9-19)20(16(3)29-22)18-12-10-17(11-13-18)15(2)27;/h4-13H,1,14H2,2-3H3,(H2,23,24,25,28);1H