dimethyl 2-[[2,6-bis(azanyl)naphthalen-1-yl]-sulfanyl-carbamothioyl]butanedioate

Systemtic Name: dimethyl 2-[[2,6-bis(azanyl)naphthalen-1-yl]-sulfanyl-carbamothioyl]butanedioate Openeye Name: dimethyl 2-[(2,6-diamino-1-naphthyl)-sulfanyl-carbamothioyl]butanedioate CAS Name: 2-[[(2,6-diamino-1-naphthalenyl)-mercaptoamino]-sulfanylidenemethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2,6-diaminonaphthalen-1-yl)-sulfanylcarbamothioyl]butanedioate Traditional Name: 2-[(2,6-diamino-1-naphthyl)-mercapto-thiocarbamoyl]succinic acid dimethyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=S)N(C1=C(C=CC2=C1C=CC(=C2)N)N)S)C(=O)OC

Isomeric SMILES

COC(=O)CC(C(=S)N(C1=C(C=CC2=C1C=CC(=C2)N)N)S)C(=O)OC

InChI

InChI=1S/C17H19N3O4S2/c1-23-14(21)8-12(17(22)24-2)16(25)20(26)15-11-5-4-10(18)7-9(11)3-6-13(15)19/h3-7,12,26H,8,18-19H2,1-2H3