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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-4-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-4-oxo-pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-oxo-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-oxopyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-4-keto-pyrrolidine-2-carboxamide Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=O)CC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)N1CC(=O)CC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H24N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,14-15H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)