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

Systemtic Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] 2-methylbenzenecarbothioate Openeye Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoylamino] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] ester Formula: C23H19N3O2S2 MolecularWeight: 433.54586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H19N3O2S2/c1-14-8-3-4-9-16(14)22(27)30-26-23(28)25-18-12-7-10-17(15(18)2)21-24-19-11-5-6-13-20(19)29-21/h3-13H,1-2H3,(H2,25,26,28)