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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3OC

InChI

InChI=1S/C22H18N4O3S2/c1-12(27)23-15-7-8-17-19(11-15)31-22(24-17)26-21(30)25-20(28)16-9-13-5-3-4-6-14(13)10-18(16)29-2/h3-11H,1-2H3,(H,23,27)(H2,24,25,26,28,30)