1-azanyl-4-(cyclohexylamino)-2-(2-hydroxyethylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-(cyclohexylamino)-2-(2-hydroxyethylsulfanyl)anthracene-9,10-dione Openeye Name: 1-amino-4-(cyclohexylamino)-2-(2-hydroxyethylsulfanyl)anthracene-9,10-dione CAS Name: 1-amino-4-(cyclohexylamino)-2-(2-hydroxyethylthio)anthracene-9,10-dione IUPAC Name: 1-amino-4-(cyclohexylamino)-2-(2-hydroxyethylsulfanyl)anthracene-9,10-dione Traditional Name: 1-amino-4-(cyclohexylamino)-2-(2-hydroxyethylthio)-9,10-anthraquinone Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)SCCO

Isomeric SMILES

C1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)SCCO

InChI

InChI=1S/C22H24N2O3S/c23-20-17(28-11-10-25)12-16(24-13-6-2-1-3-7-13)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h4-5,8-9,12-13,24-25H,1-3,6-7,10-11,23H2