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

Systemtic Name: N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C20H25N3O2S/c1-13(2)22-20(25)23-15-9-7-14(8-10-15)11-21-19(24)17-12-26-18-6-4-3-5-16(17)18/h7-10,12-13H,3-6,11H2,1-2H3,(H,21,24)(H2,22,23,25)