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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]-1-mesyl-pyrrolidine-2-carboxamide Formula: C19H26N6O4S2 MolecularWeight: 466.57754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CS(=O)(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H26N6O4S2/c1-31(28,29)25-11-5-8-14(25)17(27)23-13(7-4-10-22-19(20)21)16(26)18-24-12-6-2-3-9-15(12)30-18/h2-3,6,9,13-14H,4-5,7-8,10-11H2,1H3,(H,23,27)(H4,20,21,22)