N-[5-(1,3-benzothiazol-2-yl)-4-[bis(azanyl)methylideneamino]-5-oxidanylidene-pentyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-4-[bis(azanyl)methylideneamino]-5-oxidanylidene-pentyl]pyrrolidine-2-carboxamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-4-guanidino-5-oxo-pentyl]pyrrolidine-2-carboxamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-4-(diaminomethylideneamino)-5-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-4-(diaminomethylideneamino)-5-oxopentyl]pyrrolidine-2-carboxamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-4-guanidino-5-keto-pentyl]pyrrolidine-2-carboxamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NCCCC(C(=O)C2=NC3=CC=CC=C3S2)N=C(N)N

Isomeric SMILES

C1CC(NC1)C(=O)NCCCC(C(=O)C2=NC3=CC=CC=C3S2)N=C(N)N

InChI

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