N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-9H-xanthene-9-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-9H-xanthene-9-carboxamide Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)NC6CC6

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)NC6CC6

InChI

InChI=1S/C26H24N2O3S/c29-24(22-16-7-1-4-10-19(16)31-20-11-5-2-8-17(20)22)28-26-23(25(30)27-15-13-14-15)18-9-3-6-12-21(18)32-26/h1-2,4-5,7-8,10-11,15,22H,3,6,9,12-14H2,(H,27,30)(H,28,29)