N2-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]cyclohexane-1,2-dicarboxamide

Systemtic Name: N2-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]cyclohexane-1,2-dicarboxamide Openeye Name: N2-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]cyclohexane-1,2-dicarboxamide CAS Name: N2-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]cyclohexane-1,2-dicarboxamide IUPAC Name: 2-N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]cyclohexane-1,2-dicarboxamide Traditional Name: N'-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]cyclohexane-1,2-dicarboxamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N)C(=O)NC(CCCN=CNN)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(C(C1)C(=O)N)C(=O)NC(CCCN=CNN)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H28N6O3S/c22-19(29)13-6-1-2-7-14(13)20(30)26-16(9-5-11-24-12-25-23)18(28)21-27-15-8-3-4-10-17(15)31-21/h3-4,8,10,12-14,16H,1-2,5-7,9,11,23H2,(H2,22,29)(H,24,25)(H,26,30)