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

Systemtic Name: N-[3-(phenylcarbamoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(phenylcarbamoylamino)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[3-[[anilino(oxo)methyl]amino]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(phenylcarbamoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(phenylcarbamoylamino)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c26-21(20-13-15-7-4-5-12-19(15)28-20)23-17-10-6-11-18(14-17)25-22(27)24-16-8-2-1-3-9-16/h1-3,6,8-11,13-14H,4-5,7,12H2,(H,23,26)(H2,24,25,27)