N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-butyl-benzamide

Systemtic Name: N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-4-butyl-benzamide Openeye Name: 4-butyl-N-(1-carbamoyl-4-guanidino-butyl)benzamide CAS Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-butylbenzamide IUPAC Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-butylbenzamide Traditional Name: 4-butyl-N-(1-carbamoyl-4-guanidino-butyl)benzamide Formula: C17H27N5O2 MolecularWeight: 333.42858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C17H27N5O2/c1-2-3-5-12-7-9-13(10-8-12)16(24)22-14(15(18)23)6-4-11-21-17(19)20/h7-10,14H,2-6,11H2,1H3,(H2,18,23)(H,22,24)(H4,19,20,21)