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

Systemtic Name: 5-chloranyl-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[(6-ethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-1-naphthamide Formula: C21H16ClN3O2S2 MolecularWeight: 441.95364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

InChI

InChI=1S/C21H16ClN3O2S2/c1-2-27-12-9-10-17-18(11-12)29-21(23-17)25-20(28)24-19(26)15-7-3-6-14-13(15)5-4-8-16(14)22/h3-11H,2H2,1H3,(H2,23,24,25,26,28)