1-azanyl-2-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-1-[(3E,5E)-4,5-dimethoxyhepta-3,5-dienoyl]-3-ethenyl-guanidine

Systemtic Name: 1-azanyl-2-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-1-[(3E,5E)-4,5-dimethoxyhepta-3,5-dienoyl]-3-ethenyl-guanidine Openeye Name: 1-amino-2-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-1-[(3E,5E)-4,5-dimethoxyhepta-3,5-dienoyl]-3-vinyl-guanidine CAS Name: 1-amino-2-(4-chloro-2-mercapto-5-methylphenyl)sulfonyl-1-[(3E,5E)-4,5-dimethoxy-1-oxohepta-3,5-dienyl]-3-ethenylguanidine IUPAC Name: 1-amino-2-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-1-[(3E,5E)-4,5-dimethoxyhepta-3,5-dienoyl]-3-ethenylguanidine Traditional Name: 1-amino-2-(4-chloro-2-mercapto-5-methyl-phenyl)sulfonyl-1-[(3E,5E)-4,5-dimethoxyhepta-3,5-dienoyl]-3-vinyl-guanidine Formula: C19H25ClN4O5S2 MolecularWeight: 489.0086

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(=CCC(=O)N(C(=NS(=O)(=O)C1=C(C=C(C(=C1)C)Cl)S)NC=C)N)OC)OC

Isomeric SMILES

C/C=C(\C(=C/CC(=O)N(/C(=N\S(=O)(=O)C1=C(C=C(C(=C1)C)Cl)S)/NC=C)N)\OC)/OC

InChI

InChI=1S/C19H25ClN4O5S2/c1-6-14(28-4)15(29-5)8-9-18(25)24(21)19(22-7-2)23-31(26,27)17-10-12(3)13(20)11-16(17)30/h6-8,10-11,30H,2,9,21H2,1,3-5H3,(H,22,23)/b14-6+,15-8+