N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H15N3O2S3 MolecularWeight: 425.547

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H15N3O2S3/c1-25-15-9-8-12(19-21-13-5-2-3-6-16(13)28-19)11-14(15)22-20(26)23-18(24)17-7-4-10-27-17/h2-11H,1H3,(H2,22,23,24,26)