1-azanyl-3-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-2-phenethyl-guanidine

Systemtic Name: 1-azanyl-3-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-2-phenethyl-guanidine Openeye Name: 1-amino-3-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-2-phenethyl-guanidine CAS Name: 1-amino-3-(4-chloro-2-mercapto-5-methylphenyl)sulfonyl-2-phenethylguanidine IUPAC Name: 1-amino-3-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-2-phenethylguanidine Traditional Name: 1-amino-3-(4-chloro-2-mercapto-5-methyl-phenyl)sulfonyl-2-phenethyl-guanidine Formula: C16H19ClN4O2S2 MolecularWeight: 398.93066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NCCC2=CC=CC=C2)NN

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NCCC2=CC=CC=C2)NN

InChI

InChI=1S/C16H19ClN4O2S2/c1-11-9-15(14(24)10-13(11)17)25(22,23)21-16(20-18)19-8-7-12-5-3-2-4-6-12/h2-6,9-10,24H,7-8,18H2,1H3,(H2,19,20,21)