N,N-diethyl-2-sulfanylidene-3H-1,3-benzothiazole-4-carbothioamide

Systemtic Name: N,N-diethyl-2-sulfanylidene-3H-1,3-benzothiazole-4-carbothioamide Openeye Name: N,N-diethyl-2-thioxo-3H-1,3-benzothiazole-4-carbothioamide CAS Name: N,N-diethyl-2-sulfanylidene-3H-1,3-benzothiazole-4-carbothioamide IUPAC Name: N,N-diethyl-2-sulfanylidene-3H-1,3-benzothiazole-4-carbothioamide Traditional Name: N,N-diethyl-2-thioxo-3H-1,3-benzothiazole-4-carbothioamide Formula: C12H14N2S3 MolecularWeight: 282.44796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)C1=C2C(=CC=C1)SC(=S)N2

Isomeric SMILES

CCN(CC)C(=S)C1=C2C(=CC=C1)SC(=S)N2

InChI

InChI=1S/C12H14N2S3/c1-3-14(4-2)11(15)8-6-5-7-9-10(8)13-12(16)17-9/h5-7H,3-4H2,1-2H3,(H,13,16)