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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-azetidine-2-carboxamide Openeye Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]azetidine-2-carboxamide CAS Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-azetidinecarboxamide IUPAC Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]azetidine-2-carboxamide Traditional Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]azetidine-2-carboxamide Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)N1CCC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H24N6O3S/c1-11(26)25-10-8-14(25)17(28)23-13(6-4-9-22-19(20)21)16(27)18-24-12-5-2-3-7-15(12)29-18/h2-3,5,7,13-14H,4,6,8-10H2,1H3,(H,23,28)(H4,20,21,22)