methyl 4-[[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]carbamothioylamino]butanoate Openeye Name: methyl 4-[(1,3-dioxobenzo[de]isoquinolin-2-yl)carbamothioylamino]butanoate CAS Name: 4-[[[(1,3-dioxo-2-benzo[de]isoquinolinyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1,3-dioxobenzo[de]isoquinolin-2-yl)carbamothioylamino]butanoate Traditional Name: 4-[(1,3-diketobenzo[de]isoquinolin-2-yl)thiocarbamoylamino]butyric acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

Isomeric SMILES

COC(=O)CCCNC(=S)NN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C18H17N3O4S/c1-25-14(22)9-4-10-19-18(26)20-21-16(23)12-7-2-5-11-6-3-8-13(15(11)12)17(21)24/h2-3,5-8H,4,9-10H2,1H3,(H2,19,20,26)