N-[5-(1-azanylethylideneamino)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-4-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(1-azanylethylideneamino)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-4-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[4-(1-aminoethylideneamino)-1-(1,3-benzothiazole-2-carbonyl)butyl]-4-oxo-pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[5-(1-aminoethylideneamino)-1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-4-oxo-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[5-(1-aminoethylideneamino)-1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-4-oxopyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[4-(1-aminoethylideneamino)-1-(1,3-benzothiazole-2-carbonyl)butyl]-4-keto-pyrrolidine-2-carboxamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C3CC(=O)CN3C(=O)C)N

Isomeric SMILES

CC(=NCCCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C3CC(=O)CN3C(=O)C)N

InChI

InChI=1S/C21H25N5O4S/c1-12(22)23-9-5-7-16(19(29)21-25-15-6-3-4-8-18(15)31-21)24-20(30)17-10-14(28)11-26(17)13(2)27/h3-4,6,8,16-17H,5,7,9-11H2,1-2H3,(H2,22,23)(H,24,30)