4-[bis(azanyl)methylideneamino]-N-isoquinolin-6-yl-3-thiophen-3-yl-butanamide

Systemtic Name: 4-[bis(azanyl)methylideneamino]-N-isoquinolin-6-yl-3-thiophen-3-yl-butanamide Openeye Name: 4-guanidino-N-(6-isoquinolyl)-3-(3-thienyl)butanamide CAS Name: 4-(diaminomethylideneamino)-N-(6-isoquinolinyl)-3-(3-thiophenyl)butanamide IUPAC Name: 4-(diaminomethylideneamino)-N-isoquinolin-6-yl-3-thiophen-3-ylbutanamide Traditional Name: 4-guanidino-N-(6-isoquinolyl)-3-(3-thienyl)butyramide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C=C1NC(=O)CC(CN=C(N)N)C3=CSC=C3

Isomeric SMILES

C1=CC2=C(C=CN=C2)C=C1NC(=O)CC(CN=C(N)N)C3=CSC=C3

InChI

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