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

Systemtic Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[allyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]amino]-2-oxo-ethyl]-N-cyclopropyl-thiophene-2-carboxamide CAS Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-[allyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]amino]-2-keto-ethyl]-N-cyclopropyl-thiophene-2-carboxamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)C(=O)CN(C3CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)C(=O)CN(C3CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H29N3O2S/c1-3-14-28(18-23-10-6-15-27(23)17-21-9-5-4-8-20(21)2)25(30)19-29(22-12-13-22)26(31)24-11-7-16-32-24/h3-11,15-16,22H,1,12-14,17-19H2,2H3