[2,5-dimethyl-4-[(N'-phenylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N'-phenylcarbamimidothioate

Systemtic Name: [2,5-dimethyl-4-[(N'-phenylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N'-phenylcarbamimidothioate Openeye Name: 2-[[2,5-dimethyl-4-[(N'-phenylcarbamimidoyl)sulfanylmethyl]phenyl]methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid [4-[[[amino(phenylimino)methyl]thio]methyl]-2,5-dimethylphenyl]methyl ester IUPAC Name: [2,5-dimethyl-4-[(N'-phenylcarbamimidoyl)sulfanylmethyl]phenyl]methyl N'-phenylcarbamimidothioate Traditional Name: 2-[2,5-dimethyl-4-[[(N'-phenylamidino)thio]methyl]benzyl]-3-phenyl-isothiourea Formula: C24H26N4S2 MolecularWeight: 434.62004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC(=NC2=CC=CC=C2)N)C)CSC(=NC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=C(C=C1CSC(=NC2=CC=CC=C2)N)C)CSC(=NC3=CC=CC=C3)N

InChI

InChI=1S/C24H26N4S2/c1-17-13-20(16-30-24(26)28-22-11-7-4-8-12-22)18(2)14-19(17)15-29-23(25)27-21-9-5-3-6-10-21/h3-14H,15-16H2,1-2H3,(H2,25,27)(H2,26,28)