[10-[[(E)-C-azanylcarbonohydrazonoyl]sulfanylmethyl]anthracen-9-yl]methyl N'-azanylcarbamimidothioate

Systemtic Name: [10-[[(E)-C-azanylcarbonohydrazonoyl]sulfanylmethyl]anthracen-9-yl]methyl N'-azanylcarbamimidothioate Openeye Name: 3-amino-2-[[10-[[(E)-aminocarbonohydrazonoyl]sulfanylmethyl]-9-anthryl]methyl]isothiourea CAS Name: N'-aminocarbamimidothioic acid [10-[[[(E)-amino(hydrazinylidene)methyl]thio]methyl]-9-anthracenyl]methyl ester IUPAC Name: [10-[[(E)-C-aminocarbonohydrazonoyl]sulfanylmethyl]anthracen-9-yl]methyl N'-aminocarbamimidothioate Traditional Name: 3-amino-2-[[10-[[[(E)-aminocarbohydrazonoyl]thio]methyl]-9-anthryl]methyl]isothiourea Formula: C18H20N6S2 MolecularWeight: 384.5216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CSC(=NN)N)CSC(=NN)N

Isomeric SMILES

C1=CC=C2C(=C3C(=C(C2=C1)CS/C(=N/N)/N)C=CC=C3)CS/C(=N/N)/N

InChI

InChI=1S/C18H20N6S2/c19-17(23-21)25-9-15-11-5-1-2-6-12(11)16(10-26-18(20)24-22)14-8-4-3-7-13(14)15/h1-8H,9-10,21-22H2,(H2,19,23)(H2,20,24)