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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]-1-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-1-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]-1-mesyl-pyrrolidine-2-carboxamide Formula: C19H26N6O4S2 MolecularWeight: 466.57754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)NC(CCCN=CNN)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CS(=O)(=O)N1CCCC1C(=O)NC(CCCN=CNN)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H26N6O4S2/c1-31(28,29)25-11-5-8-15(25)18(27)23-14(7-4-10-21-12-22-20)17(26)19-24-13-6-2-3-9-16(13)30-19/h2-3,6,9,12,14-15H,4-5,7-8,10-11,20H2,1H3,(H,21,22)(H,23,27)