4-[bis(azanyl)methylideneamino]-N-isoquinolin-6-yl-4-thiophen-2-yl-butanamide

Systemtic Name: 4-[bis(azanyl)methylideneamino]-N-isoquinolin-6-yl-4-thiophen-2-yl-butanamide Openeye Name: 4-guanidino-N-(6-isoquinolyl)-4-(2-thienyl)butanamide CAS Name: 4-(diaminomethylideneamino)-N-(6-isoquinolinyl)-4-thiophen-2-ylbutanamide IUPAC Name: 4-(diaminomethylideneamino)-N-isoquinolin-6-yl-4-thiophen-2-ylbutanamide Traditional Name: 4-guanidino-N-(6-isoquinolyl)-4-(2-thienyl)butyramide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CCC(=O)NC2=CC3=C(C=C2)C=NC=C3)N=C(N)N

Isomeric SMILES

C1=CSC(=C1)C(CCC(=O)NC2=CC3=C(C=C2)C=NC=C3)N=C(N)N

InChI

InChI=1S/C18H19N5OS/c19-18(20)23-15(16-2-1-9-25-16)5-6-17(24)22-14-4-3-13-11-21-8-7-12(13)10-14/h1-4,7-11,15H,5-6H2,(H,22,24)(H4,19,20,23)