N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H24N2O2S/c1-13-5-8-18-16(9-13)11-19(26-18)21(25)22-12-14-3-2-4-17(10-14)23-20(24)15-6-7-15/h2-4,10-11,13,15H,5-9,12H2,1H3,(H,22,25)(H,23,24)