N-[(E)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethylideneamino]pyridine-3-carbothioamide

Systemtic Name: N-[(E)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethylideneamino]pyridine-3-carbothioamide Openeye Name: N-[(E)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethylideneamino]pyridine-3-carbothioamide CAS Name: N-[(E)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethylideneamino]-3-pyridinecarbothioamide IUPAC Name: N-[(E)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethylideneamino]pyridine-3-carbothioamide Traditional Name: N-[(E)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethylideneamino]thionicotinamide Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)C1=CN=CC=C1)C2COC3=CC=CC=C3O2

Isomeric SMILES

C/C(=N\NC(=S)C1=CN=CC=C1)/[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H15N3O2S/c1-11(18-19-16(22)12-5-4-8-17-9-12)15-10-20-13-6-2-3-7-14(13)21-15/h2-9,15H,10H2,1H3,(H,19,22)/b18-11+/t15-/m1/s1