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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]pyrrolidine-3-carboxamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]pyrrolidine-3-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-3-carboxamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]pyrrolidine-3-carboxamide Formula: C18H24N6O2S MolecularWeight: 388.48716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CNCC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H24N6O2S/c19-18(20)22-8-3-5-13(23-16(26)11-7-9-21-10-11)15(25)17-24-12-4-1-2-6-14(12)27-17/h1-2,4,6,11,13,21H,3,5,7-10H2,(H,23,26)(H4,19,20,22)