S-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] 3,7-bis(diethylamino)phenoxazine-10-carbothioate

Systemtic Name: S-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] 3,7-bis(diethylamino)phenoxazine-10-carbothioate Openeye Name: S-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl] 3,7-bis(diethylamino)phenoxazine-10-carbothioate CAS Name: 3,7-bis(diethylamino)-10-phenoxazinecarbothioic acid S-[4-hydroxy-3-[(2-methylanilino)-oxomethyl]-1-naphthalenyl] ester IUPAC Name: S-[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] 3,7-bis(diethylamino)phenoxazine-10-carbothioate Traditional Name: 3,7-bis(diethylamino)phenoxazine-10-carbothioic acid S-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl] ester Formula: C39H40N4O4S MolecularWeight: 660.8243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N(C3=C(O2)C=C(C=C3)N(CC)CC)C(=O)SC4=CC(=C(C5=CC=CC=C54)O)C(=O)NC6=CC=CC=C6C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N(C3=C(O2)C=C(C=C3)N(CC)CC)C(=O)SC4=CC(=C(C5=CC=CC=C54)O)C(=O)NC6=CC=CC=C6C

InChI

InChI=1S/C39H40N4O4S/c1-6-41(7-2)26-18-20-32-34(22-26)47-35-23-27(42(8-3)9-4)19-21-33(35)43(32)39(46)48-36-24-30(37(44)29-16-12-11-15-28(29)36)38(45)40-31-17-13-10-14-25(31)5/h10-24,44H,6-9H2,1-5H3,(H,40,45)