N-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-keto-2-(p-anisylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H20N4O3S/c1-29-17-7-4-15(5-8-17)13-23-20(27)14-24-21(28)16-6-9-18-19(12-16)30-22(25-18)26-10-2-3-11-26/h2-12H,13-14H2,1H3,(H,23,27)(H,24,28)