S-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] 2,8-bis(diethylamino)-10-phenyl-phenazine-5-carbothioate

Systemtic Name: S-[3-[(2-methylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl] 2,8-bis(diethylamino)-10-phenyl-phenazine-5-carbothioate Openeye Name: S-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl] 2,8-bis(diethylamino)-10-phenyl-phenazine-5-carbothioate CAS Name: 2,8-bis(diethylamino)-10-phenyl-5-phenazinecarbothioic acid S-[4-hydroxy-3-[(2-methylanilino)-oxomethyl]-1-naphthalenyl] ester IUPAC Name: S-[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] 2,8-bis(diethylamino)-10-phenylphenazine-5-carbothioate Traditional Name: 2,8-bis(diethylamino)-10-phenyl-phenazine-5-carbothioic acid S-[4-hydroxy-3-(o-tolylcarbamoyl)-1-naphthyl] ester Formula: C45H45N5O3S MolecularWeight: 735.9355

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N(C3=C(N2C4=CC=CC=C4)C=C(C=C3)N(CC)CC)C(=O)SC5=CC(=C(C6=CC=CC=C65)O)C(=O)NC7=CC=CC=C7C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N(C3=C(N2C4=CC=CC=C4)C=C(C=C3)N(CC)CC)C(=O)SC5=CC(=C(C6=CC=CC=C65)O)C(=O)NC7=CC=CC=C7C

InChI

InChI=1S/C45H45N5O3S/c1-6-47(7-2)32-23-25-38-40(27-32)49(31-18-11-10-12-19-31)41-28-33(48(8-3)9-4)24-26-39(41)50(38)45(53)54-42-29-36(43(51)35-21-15-14-20-34(35)42)44(52)46-37-22-16-13-17-30(37)5/h10-29,51H,6-9H2,1-5H3,(H,46,52)