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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-pyrrolidine-3-carboxamide Openeye Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]pyrrolidine-3-carboxamide CAS Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-3-carboxamide Traditional Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]pyrrolidine-3-carboxamide Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)N1CCC(C1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H26N6O3S/c1-12(27)26-10-8-13(11-26)18(29)24-15(6-4-9-23-20(21)22)17(28)19-25-14-5-2-3-7-16(14)30-19/h2-3,5,7,13,15H,4,6,8-11H2,1H3,(H,24,29)(H4,21,22,23)