N-[3-(isoquinolin-5-ylamino)-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-(isoquinolin-5-ylamino)-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-(5-isoquinolylamino)-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-(5-isoquinolinylamino)-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-(isoquinolin-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-(5-isoquinolylamino)-3-keto-propyl]thiophene-3-carboxamide Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C17H15N3O2S/c21-16(5-8-19-17(22)13-6-9-23-11-13)20-15-3-1-2-12-10-18-7-4-14(12)15/h1-4,6-7,9-11H,5,8H2,(H,19,22)(H,20,21)