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

Systemtic Name: 3-chloranyl-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-(cyclopropanecarbonylamino)benzyl]-4-methyl-benzothiophene-2-carboxamide Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H19ClN2O2S/c1-12-4-2-7-16-17(12)18(22)19(27-16)21(26)23-11-13-5-3-6-15(10-13)24-20(25)14-8-9-14/h2-7,10,14H,8-9,11H2,1H3,(H,23,26)(H,24,25)