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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C27H21N3O2S2 MolecularWeight: 483.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21N3O2S2/c1-16-19(26-28-22-11-5-6-13-24(22)34-26)10-7-12-21(16)29-27(33)30-25(31)20-14-17-8-3-4-9-18(17)15-23(20)32-2/h3-15H,1-2H3,(H2,29,30,31,33)