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

Systemtic Name: 5-bromanyl-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-1-naphthamide Formula: C23H20BrN3OS2 MolecularWeight: 498.4584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C23H20BrN3OS2/c1-2-3-6-14-11-12-19-20(13-14)30-23(25-19)27-22(29)26-21(28)17-9-4-8-16-15(17)7-5-10-18(16)24/h4-5,7-13H,2-3,6H2,1H3,(H2,25,26,27,28,29)