N-[2-[2-methoxyethyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-thiophene-2-carboxamide

Systemtic Name: N-[2-[2-methoxyethyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-thiophene-2-carboxamide Openeye Name: N-allyl-N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[2-methoxyethyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]-N-prop-2-enyl-2-thiophenecarboxamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide Traditional Name: N-allyl-N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-keto-ethyl]thiophene-2-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)C3=CC=CS3

Isomeric SMILES

COCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)C3=CC=CS3

InChI

InChI=1S/C25H29N3O3S/c1-3-13-28(25(30)23-12-8-17-32-23)20-24(29)27(15-16-31-2)19-22-11-7-14-26(22)18-21-9-5-4-6-10-21/h3-12,14,17H,1,13,15-16,18-20H2,2H3