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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H25N3OS2/c1-4-5-6-15-7-12-18-19(13-15)28-22(23-18)25-21(27)24-20(26)17-10-8-16(9-11-17)14(2)3/h7-14H,4-6H2,1-3H3,(H2,23,24,25,26,27)