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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-pentan-2-yl]-1-[bis(azanyl)methylideneamino]pyrrolidine-2-carboxamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)butyl]-1-guanidino-pyrrolidine-2-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-1-(diaminomethylideneamino)-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-1-(diaminomethylideneamino)pyrrolidine-2-carboxamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)butyl]-1-guanidino-pyrrolidine-2-carboxamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C3CCCN3N=C(N)N

Isomeric SMILES

CCCC(C(=O)C1=NC2=CC=CC=C2S1)NC(=O)C3CCCN3N=C(N)N

InChI

InChI=1S/C18H24N6O2S/c1-2-6-12(15(25)17-22-11-7-3-4-9-14(11)27-17)21-16(26)13-8-5-10-24(13)23-18(19)20/h3-4,7,9,12-13H,2,5-6,8,10H2,1H3,(H,21,26)(H4,19,20,23)