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

Systemtic Name: N-[2-oxidanylidene-2-(3-oxidanylpropylamino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(3-hydroxypropylamino)-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(3-hydroxypropylamino)-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(3-hydroxypropylamino)-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(3-hydroxypropylamino)-2-keto-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(=O)NCCCO

Isomeric SMILES

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(=O)NCCCO

InChI

InChI=1S/C17H18N4O3S/c22-9-3-6-18-15(23)11-19-16(24)12-4-5-13-14(10-12)25-17(20-13)21-7-1-2-8-21/h1-2,4-5,7-8,10,22H,3,6,9,11H2,(H,18,23)(H,19,24)