N-[(4-bromophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanethioamide

Systemtic Name: N-[(4-bromophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanethioamide Openeye Name: N-[(4-bromophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanethioamide CAS Name: N-[(4-bromophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanethioamide IUPAC Name: N-[(4-bromophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanethioamide Traditional Name: N-(4-bromobenzyl)-3-(3-methoxy-4-propargyloxy-phenyl)thiopropionamide Formula: C20H20BrNO2S MolecularWeight: 418.3473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=S)NCC2=CC=C(C=C2)Br)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=S)NCC2=CC=C(C=C2)Br)OCC#C

InChI

InChI=1S/C20H20BrNO2S/c1-3-12-24-18-10-6-15(13-19(18)23-2)7-11-20(25)22-14-16-4-8-17(21)9-5-16/h1,4-6,8-10,13H,7,11-12,14H2,2H3,(H,22,25)