N-[6-(2,2-diphenylethanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-(2,2-diphenylethanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[(2,2-diphenylacetyl)carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[(2,2-diphenylacetyl)carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[(2,2-diphenylacetyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C26H24N4O2S2 MolecularWeight: 488.62436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O2S2/c1-2-9-22(31)29-26-28-20-15-14-19(16-21(20)34-26)27-25(33)30-24(32)23(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-16,23H,2,9H2,1H3,(H,28,29,31)(H2,27,30,32,33)