diethyl 2-[[2,3-bis(azanyl)naphthalen-1-yl]-sulfanyl-carbamothioyl]butanedioate

Systemtic Name: diethyl 2-[[2,3-bis(azanyl)naphthalen-1-yl]-sulfanyl-carbamothioyl]butanedioate Openeye Name: diethyl 2-[(2,3-diamino-1-naphthyl)-sulfanyl-carbamothioyl]butanedioate CAS Name: 2-[[(2,3-diamino-1-naphthalenyl)-mercaptoamino]-sulfanylidenemethyl]butanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2,3-diaminonaphthalen-1-yl)-sulfanylcarbamothioyl]butanedioate Traditional Name: 2-[(2,3-diamino-1-naphthyl)-mercapto-thiocarbamoyl]succinic acid diethyl ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=S)N(C1=C(C(=CC2=CC=CC=C21)N)N)S)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(C(=S)N(C1=C(C(=CC2=CC=CC=C21)N)N)S)C(=O)OCC

InChI

InChI=1S/C19H23N3O4S2/c1-3-25-15(23)10-13(19(24)26-4-2)18(27)22(28)17-12-8-6-5-7-11(12)9-14(20)16(17)21/h5-9,13,28H,3-4,10,20-21H2,1-2H3