N-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N2O2S/c22-17(18-14-5-6-15-16(9-14)21-11-20-15)19-8-7-12-3-1-2-4-13(12)10-19/h1-6,9H,7-8,10-11H2,(H,18,22)