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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]piperidine-3-carboxamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]piperidine-3-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-piperidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]piperidine-3-carboxamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]nipecotamide Formula: C19H26N6O2S MolecularWeight: 402.51374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CC(CNC1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H26N6O2S/c20-19(21)23-10-4-7-14(24-17(27)12-5-3-9-22-11-12)16(26)18-25-13-6-1-2-8-15(13)28-18/h1-2,6,8,12,14,22H,3-5,7,9-11H2,(H,24,27)(H4,20,21,23)