N-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-2,5-dihydropyrrole-2-carboxamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-2,5-dihydropyrrole-2-carboxamide Openeye Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]-2,5-dihydropyrrole-2-carboxamide CAS Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-2,5-dihydropyrrole-2-carboxamide IUPAC Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-2,5-dihydropyrrole-2-carboxamide Traditional Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]-3-pyrroline-2-carboxamide Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O3S/c1-13(27)26-11-5-8-16(26)19(29)24-15(7-4-10-22-12-23-21)18(28)20-25-14-6-2-3-9-17(14)30-20/h2-3,5-6,8-9,12,15-16H,4,7,10-11,21H2,1H3,(H,22,23)(H,24,29)