N-[4-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-4-oxidanylidene-butyl]-2-ethoxy-benzamide

Systemtic Name: N-[4-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-4-oxidanylidene-butyl]-2-ethoxy-benzamide Openeye Name: N-[4-[allyl-[(5-chloro-2-thienyl)methyl]amino]-4-oxo-butyl]-2-ethoxy-benzamide CAS Name: N-[4-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-4-oxobutyl]-2-ethoxybenzamide IUPAC Name: N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-4-oxobutyl]-2-ethoxybenzamide Traditional Name: N-[4-[allyl-[(5-chloro-2-thienyl)methyl]amino]-4-keto-butyl]-2-ethoxy-benzamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCCCC(=O)N(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NCCCC(=O)N(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-3-14-24(15-16-11-12-19(22)28-16)20(25)10-7-13-23-21(26)17-8-5-6-9-18(17)27-4-2/h3,5-6,8-9,11-12H,1,4,7,10,13-15H2,2H3,(H,23,26)