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

Systemtic Name: 2-[(2-ethylphenyl)carbamoyl-prop-2-enyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-[(2-ethylphenyl)carbamoyl]amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(2-ethylanilino)-oxomethyl]-prop-2-enylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2-ethylphenyl)carbamoyl-prop-2-enylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[allyl-[(2-ethylphenyl)carbamoyl]amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=C(S3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=C(S3)C

InChI

InChI=1S/C27H31N3O2S/c1-4-17-29(27(32)28-25-14-10-9-13-23(25)5-2)20-26(31)30(18-22-11-7-6-8-12-22)19-24-16-15-21(3)33-24/h4,6-16H,1,5,17-20H2,2-3H3,(H,28,32)