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

Systemtic Name: 5-bromanyl-N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-1-naphthamide Formula: C20H13BrClN3O2S2 MolecularWeight: 506.82312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)Cl

InChI

InChI=1S/C20H13BrClN3O2S2/c1-27-16-9-17-15(8-14(16)22)23-20(29-17)25-19(28)24-18(26)12-6-2-5-11-10(12)4-3-7-13(11)21/h2-9H,1H3,(H2,23,24,25,26,28)