N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-piperidine-2-carboxamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]piperidine-2-carboxamide CAS Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]piperidine-2-carboxamide Traditional Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]pipecolinamide Formula: C21H28N6O3S MolecularWeight: 444.55042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)N1CCCCC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H28N6O3S/c1-13(28)27-12-5-4-9-16(27)19(30)25-15(8-6-11-24-21(22)23)18(29)20-26-14-7-2-3-10-17(14)31-20/h2-3,7,10,15-16H,4-6,8-9,11-12H2,1H3,(H,25,30)(H4,22,23,24)