4-(1,3-benzodioxol-5-ylamino)benzenecarbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)benzenecarbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylamino)benzenecarbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylamino)benzenecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)benzenecarbothioamide Traditional Name: 4-(1,3-benzodioxol-5-ylamino)thiobenzamide Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=CC=C(C=C3)C(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C14H12N2O2S/c15-14(19)9-1-3-10(4-2-9)16-11-5-6-12-13(7-11)18-8-17-12/h1-7,16H,8H2,(H2,15,19)