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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-1-(2-methyl-1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]-1-isobutyryl-pyrrolidine-2-carboxamide Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O3S/c1-14(2)22(31)28-12-6-9-17(28)20(30)26-16(8-5-11-24-13-25-23)19(29)21-27-15-7-3-4-10-18(15)32-21/h3-4,7,10,13-14,16-17H,5-6,8-9,11-12,23H2,1-2H3,(H,24,25)(H,26,30)