1-(2-azanylethylamino)-4-methyl-7-oxidanyl-thioxanthen-9-one

Systemtic Name: 1-(2-azanylethylamino)-4-methyl-7-oxidanyl-thioxanthen-9-one Openeye Name: 1-(2-aminoethylamino)-7-hydroxy-4-methyl-thioxanthen-9-one CAS Name: 1-(2-aminoethylamino)-7-hydroxy-4-methyl-9-thioxanthenone IUPAC Name: 1-(2-aminoethylamino)-7-hydroxy-4-methylthioxanthen-9-one Traditional Name: 1-(2-aminoethylamino)-7-hydroxy-4-methyl-thioxanthen-9-one Formula: C16H16N2O2S MolecularWeight: 300.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCN)C(=O)C3=C(S2)C=CC(=C3)O

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCN)C(=O)C3=C(S2)C=CC(=C3)O

InChI

InChI=1S/C16H16N2O2S/c1-9-2-4-12(18-7-6-17)14-15(20)11-8-10(19)3-5-13(11)21-16(9)14/h2-5,8,18-19H,6-7,17H2,1H3