2-benzamido-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

Systemtic Name: 2-benzamido-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Openeye Name: 2-benzamido-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide CAS Name: 2-benzamido-N-[3-(methylthio)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide IUPAC Name: 2-benzamido-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Traditional Name: 2-benzamido-N-[3-(methylthio)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCCC3=C2N=C(S3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCCC3=C2N=C(S3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S2/c1-28-16-10-5-9-15(13-16)23-21(27)17-11-6-12-18-19(17)24-22(29-18)25-20(26)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,23,27)(H,24,25,26)