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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)N1CCC[C@H](C1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H28N6O3S/c1-13(28)27-11-5-6-14(12-27)19(30)25-16(8-4-10-24-21(22)23)18(29)20-26-15-7-2-3-9-17(15)31-20/h2-3,7,9,14,16H,4-6,8,10-12H2,1H3,(H,25,30)(H4,22,23,24)/t14-,16?/m1/s1