N-(4-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-morpholinosulfonylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H23N3O3S2/c24-28(25,23-11-13-26-14-12-23)19-7-5-18(6-8-19)21-20(27)22-10-9-16-3-1-2-4-17(16)15-22/h1-8H,9-15H2,(H,21,27)