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

Systemtic Name: 2-acetamido-N-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]cyclopentane-1-carboxamide Openeye Name: 2-acetamido-N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]cyclopentanecarboxamide CAS Name: 2-acetamido-N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-1-cyclopentanecarboxamide IUPAC Name: 2-acetamido-N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide Traditional Name: 2-acetamido-N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]cyclopentanecarboxamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCCC1C(=O)NC(CCCN=CNN)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)NC1CCCC1C(=O)NC(CCCN=CNN)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H28N6O3S/c1-13(28)25-15-8-4-6-14(15)20(30)26-17(9-5-11-23-12-24-22)19(29)21-27-16-7-2-3-10-18(16)31-21/h2-3,7,10,12,14-15,17H,4-6,8-9,11,22H2,1H3,(H,23,24)(H,25,28)(H,26,30)