6-(phenylcarbamothioylamino)-1,3-benzothiazole-2-thiolate

Systemtic Name: 6-(phenylcarbamothioylamino)-1,3-benzothiazole-2-thiolate Openeye Name: 6-(phenylcarbamothioylamino)-1,3-benzothiazole-2-thiolate CAS Name: 6-[[anilino(sulfanylidene)methyl]amino]-1,3-benzothiazole-2-thiolate IUPAC Name: 6-(phenylcarbamothioylamino)-1,3-benzothiazole-2-thiolate Traditional Name: 6-(phenylthiocarbamoylamino)-1,3-benzothiazole-2-thiolate Formula: C14H10N3S3- MolecularWeight: 316.4443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(S3)[S-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=C(S3)[S-]

InChI

InChI=1S/C14H11N3S3/c18-13(15-9-4-2-1-3-5-9)16-10-6-7-11-12(8-10)20-14(19)17-11/h1-8H,(H,17,19)(H2,15,16,18)/p-1