N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]morpholine-4-carbothioamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]morpholine-4-carbothioamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]morpholine-4-carbothioamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-4-morpholinecarbothioamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]morpholine-4-carbothioamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]morpholine-4-carbothioamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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