2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)benzenecarbothioamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)benzenecarbothioamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)benzenecarbothioamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)benzenecarbothioamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)benzenecarbothioamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)thiobenzamide Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=CC=CC=C3C(=S)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=CC=CC=C3C(=S)N)OC1

InChI

InChI=1S/C16H16N2O2S/c17-16(21)12-4-1-2-5-13(12)18-11-6-7-14-15(10-11)20-9-3-8-19-14/h1-2,4-7,10,18H,3,8-9H2,(H2,17,21)