methyl N-(acridin-9-ylamino)-N'-methyl-carbamimidothioate

Systemtic Name: methyl N-(acridin-9-ylamino)-N'-methyl-carbamimidothioate Openeye Name: 1-(acridin-9-ylamino)-2,3-dimethyl-isothiourea CAS Name: N-(9-acridinylamino)-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(acridin-9-ylamino)-N'-methylcarbamimidothioate Traditional Name: 1-(acridin-9-ylamino)-2,3-dimethyl-isothiourea Formula: C16H16N4S MolecularWeight: 296.39004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(NNC1=C2C=CC=CC2=NC3=CC=CC=C31)SC

Isomeric SMILES

CN=C(NNC1=C2C=CC=CC2=NC3=CC=CC=C31)SC

InChI

InChI=1S/C16H16N4S/c1-17-16(21-2)20-19-15-11-7-3-5-9-13(11)18-14-10-6-4-8-12(14)15/h3-10H,1-2H3,(H,17,20)(H,18,19)