2-[(4-bromophenyl)carbamoyl-prop-2-enyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)carbamoyl-prop-2-enyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-[(4-bromophenyl)carbamoyl]amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(4-bromoanilino)-oxomethyl]-prop-2-enylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-bromophenyl)carbamoyl-prop-2-enylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[allyl-[(4-bromophenyl)carbamoyl]amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide Formula: C25H26BrN3O2S MolecularWeight: 512.46184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H26BrN3O2S/c1-3-15-28(25(31)27-22-12-10-21(26)11-13-22)18-24(30)29(16-20-7-5-4-6-8-20)17-23-14-9-19(2)32-23/h3-14H,1,15-18H2,2H3,(H,27,31)