dimethyl 2-[[2-azanyl-6-(propan-2-ylamino)naphthalen-1-yl]-sulfanyl-carbamothioyl]butanedioate

Systemtic Name: dimethyl 2-[[2-azanyl-6-(propan-2-ylamino)naphthalen-1-yl]-sulfanyl-carbamothioyl]butanedioate Openeye Name: dimethyl 2-[[2-amino-6-(isopropylamino)-1-naphthyl]-sulfanyl-carbamothioyl]butanedioate CAS Name: 2-[[[2-amino-6-(propan-2-ylamino)-1-naphthalenyl]-mercaptoamino]-sulfanylidenemethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-amino-6-(propan-2-ylamino)naphthalen-1-yl]-sulfanylcarbamothioyl]butanedioate Traditional Name: 2-[[2-amino-6-(isopropylamino)-1-naphthyl]-mercapto-thiocarbamoyl]succinic acid dimethyl ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC2=C(C=C1)C(=C(C=C2)N)N(C(=S)C(CC(=O)OC)C(=O)OC)S

Isomeric SMILES

CC(C)NC1=CC2=C(C=C1)C(=C(C=C2)N)N(C(=S)C(CC(=O)OC)C(=O)OC)S

InChI

InChI=1S/C20H25N3O4S2/c1-11(2)22-13-6-7-14-12(9-13)5-8-16(21)18(14)23(29)19(28)15(20(25)27-4)10-17(24)26-3/h5-9,11,15,22,29H,10,21H2,1-4H3