S-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino] 2-methylbenzenecarbothioate

Systemtic Name: S-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino] 2-methylbenzenecarbothioate Openeye Name: S-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[[[3-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino] ester Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3O2S2/c1-14-7-2-3-10-17(14)21(26)29-25-22(27)23-16-9-6-8-15(13-16)20-24-18-11-4-5-12-19(18)28-20/h2-13H,1H3,(H2,23,25,27)