N-butyl-N-[2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-butyl-N-[2-[cyclohexyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-butyl-thiophene-2-carboxamide CAS Name: N-butyl-N-[2-[cyclohexyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-butylthiophene-2-carboxamide Traditional Name: N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexyl-amino]-2-keto-ethyl]-N-butyl-thiophene-2-carboxamide Formula: C29H37N3O2S MolecularWeight: 491.68798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C29H37N3O2S/c1-2-3-18-31(29(34)27-17-11-20-35-27)23-28(33)32(25-14-8-5-9-15-25)22-26-16-10-19-30(26)21-24-12-6-4-7-13-24/h4,6-7,10-13,16-17,19-20,25H,2-3,5,8-9,14-15,18,21-23H2,1H3