4-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 4-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]-N,N-diethyl-benzamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CN(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CN(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C21H26ClN3O2S/c1-4-13-24(14-18-11-12-19(22)28-18)15-20(26)23-17-9-7-16(8-10-17)21(27)25(5-2)6-3/h4,7-12H,1,5-6,13-15H2,2-3H3,(H,23,26)