6-(2-aminophenyl)sulfanyl-2-(3-oxidanylpropyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-(2-aminophenyl)sulfanyl-2-(3-oxidanylpropyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(2-aminophenyl)sulfanyl-2-(3-hydroxypropyl)benzo[de]isoquinoline-1,3-dione CAS Name: 6-[(2-aminophenyl)thio]-2-(3-hydroxypropyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(2-aminophenyl)sulfanyl-2-(3-hydroxypropyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-[(2-aminophenyl)thio]-2-(3-hydroxypropyl)benzo[de]isoquinoline-1,3-quinone Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCO

Isomeric SMILES

C1=CC=C(C(=C1)N)SC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCO

InChI

InChI=1S/C21H18N2O3S/c22-16-7-1-2-8-18(16)27-17-10-9-15-19-13(17)5-3-6-14(19)20(25)23(21(15)26)11-4-12-24/h1-3,5-10,24H,4,11-12,22H2