N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-1-naphthamide Formula: C23H20N4O2S2 MolecularWeight: 448.5605

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H20N4O2S2/c1-2-6-20(28)26-23-25-18-12-11-15(13-19(18)31-23)24-22(30)27-21(29)17-10-5-8-14-7-3-4-9-16(14)17/h3-5,7-13H,2,6H2,1H3,(H,25,26,28)(H2,24,27,29,30)