N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-piperidin-4-yl-ethanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-piperidin-4-yl-ethanamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-2-(4-piperidyl)acetamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(4-piperidinyl)acetamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-piperidin-4-ylacetamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-2-(4-piperidyl)acetamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CNCCC1CC(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H28N6O2S/c21-20(22)24-9-3-5-15(25-17(27)12-13-7-10-23-11-8-13)18(28)19-26-14-4-1-2-6-16(14)29-19/h1-2,4,6,13,15,23H,3,5,7-12H2,(H,25,27)(H4,21,22,24)