dibutyl 2-[[2-azanyl-6-(ethylamino)naphthalen-1-yl]-sulfanyl-carbamothioyl]butanedioate

Systemtic Name: dibutyl 2-[[2-azanyl-6-(ethylamino)naphthalen-1-yl]-sulfanyl-carbamothioyl]butanedioate Openeye Name: dibutyl 2-[[2-amino-6-(ethylamino)-1-naphthyl]-sulfanyl-carbamothioyl]butanedioate CAS Name: 2-[[[2-amino-6-(ethylamino)-1-naphthalenyl]-mercaptoamino]-sulfanylidenemethyl]butanedioic acid dibutyl ester IUPAC Name: dibutyl 2-[[2-amino-6-(ethylamino)naphthalen-1-yl]-sulfanylcarbamothioyl]butanedioate Traditional Name: 2-[[2-amino-6-(ethylamino)-1-naphthyl]-mercapto-thiocarbamoyl]succinic acid dibutyl ester Formula: C25H35N3O4S2 MolecularWeight: 505.6931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C(=S)N(C1=C(C=CC2=C1C=CC(=C2)NCC)N)S)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)CC(C(=S)N(C1=C(C=CC2=C1C=CC(=C2)NCC)N)S)C(=O)OCCCC

InChI

InChI=1S/C25H35N3O4S2/c1-4-7-13-31-22(29)16-20(25(30)32-14-8-5-2)24(33)28(34)23-19-11-10-18(27-6-3)15-17(19)9-12-21(23)26/h9-12,15,20,27,34H,4-8,13-14,16,26H2,1-3H3