2-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]propanoylamino]thiophene-3-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(C)C(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(C)C(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C21H28N4O2S/c1-15-4-6-17(7-5-15)14-24-9-3-10-25(12-11-24)16(2)20(27)23-21-18(19(22)26)8-13-28-21/h4-8,13,16H,3,9-12,14H2,1-2H3,(H2,22,26)(H,23,27)