N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-(1-azanyl-2-phenyl-ethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-(1-azanyl-2-phenyl-ethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(1-amino-2-phenyl-ethyl)-N-(1-carbamoyl-4-guanidino-butyl)thiazole-4-carboxamide CAS Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(1-amino-2-phenylethyl)-4-thiazolecarboxamide IUPAC Name: N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(1-amino-2-phenylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(1-amino-2-phenyl-ethyl)-N-(1-carbamoyl-4-guanidino-butyl)thiazole-4-carboxamide Formula: C18H25N7O2S MolecularWeight: 403.5018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC(=CS2)C(=O)NC(CCCN=C(N)N)C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=NC(=CS2)C(=O)NC(CCCN=C(N)N)C(=O)N)N

InChI

InChI=1S/C18H25N7O2S/c19-12(9-11-5-2-1-3-6-11)17-25-14(10-28-17)16(27)24-13(15(20)26)7-4-8-23-18(21)22/h1-3,5-6,10,12-13H,4,7-9,19H2,(H2,20,26)(H,24,27)(H4,21,22,23)