4-tert-butyl-N-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[2-(methylthio)-1,3-benzothiazol-6-yl]thiocarbamoyl]benzamide Formula: C20H21N3OS3 MolecularWeight: 415.59524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS3/c1-20(2,3)13-7-5-12(6-8-13)17(24)23-18(25)21-14-9-10-15-16(11-14)27-19(22-15)26-4/h5-11H,1-4H3,(H2,21,23,24,25)