S-[[6-(phenylcarbamoylamino)-1,3-benzothiazol-2-yl]] N-phenylcarbamothioate

Systemtic Name: S-[[6-(phenylcarbamoylamino)-1,3-benzothiazol-2-yl]] N-phenylcarbamothioate Openeye Name: S-[[6-(phenylcarbamoylamino)-1,3-benzothiazol-2-yl]] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid S-[[6-[[anilino(oxo)methyl]amino]-1,3-benzothiazol-2-yl]] ester IUPAC Name: S-[[6-(phenylcarbamoylamino)-1,3-benzothiazol-2-yl]] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid S-[[6-(phenylcarbamoylamino)-1,3-benzothiazol-2-yl]] ester Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)SC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)SC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H16N4O2S2/c26-19(22-14-7-3-1-4-8-14)23-16-11-12-17-18(13-16)28-21(25-17)29-20(27)24-15-9-5-2-6-10-15/h1-13H,(H,24,27)(H2,22,23,26)