3-chloranyl-N-[(E)-1-[4-(cyclopropylcarbonylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(E)-1-[4-(cyclopropylcarbonylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(E)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(E)-1-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(E)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(E)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]benzothiophene-2-carboxamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(C2=CC=CC=C2S1)Cl)C3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

C/C(=N\NC(=O)C1=C(C2=CC=CC=C2S1)Cl)/C3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H18ClN3O2S/c1-12(13-8-10-15(11-9-13)23-20(26)14-6-7-14)24-25-21(27)19-18(22)16-4-2-3-5-17(16)28-19/h2-5,8-11,14H,6-7H2,1H3,(H,23,26)(H,25,27)/b24-12+