3-(chloromethyl)-N-[[3-[(1R)-1-phenylethoxy]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-(chloromethyl)-N-[[3-[(1R)-1-phenylethoxy]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-(chloromethyl)-N-[[3-[(1R)-1-phenylethoxy]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-(chloromethyl)-N-[[3-[(1R)-1-phenylethoxy]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-(chloromethyl)-N-[[3-[(1R)-1-phenylethoxy]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-(chloromethyl)-N-[[3-[(1R)-1-phenylethoxy]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H21ClN2O2S2 MolecularWeight: 481.02944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=CC=CC(=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)CCl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC2=CC=CC(=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)CCl

InChI

InChI=1S/C25H21ClN2O2S2/c1-16(17-8-3-2-4-9-17)30-19-11-7-10-18(14-19)27-25(31)28-24(29)23-21(15-26)20-12-5-6-13-22(20)32-23/h2-14,16H,15H2,1H3,(H2,27,28,29,31)/t16-/m1/s1