2-methyl-N-[[2-(2-methylpropanoylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]propanamide

Systemtic Name: 2-methyl-N-[[2-(2-methylpropanoylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]propanamide Openeye Name: 2-methyl-N-[[2-(2-methylpropanoylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]propanamide CAS Name: 2-methyl-N-[[[2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: 2-methyl-N-[[2-(2-methylpropanoylcarbamothioylamino)-1,3-benzothiazol-6-yl]carbamothioyl]propanamide Traditional Name: N-[[2-(isobutyrylthiocarbamoylamino)-1,3-benzothiazol-6-yl]thiocarbamoyl]-2-methyl-propionamide Formula: C17H21N5O2S3 MolecularWeight: 423.57594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C(C)C

InChI

InChI=1S/C17H21N5O2S3/c1-8(2)13(23)20-15(25)18-10-5-6-11-12(7-10)27-17(19-11)22-16(26)21-14(24)9(3)4/h5-9H,1-4H3,(H2,18,20,23,25)(H2,19,21,22,24,26)