3-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]-N-cyclopropyl-benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)CC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

InChI

InChI=1S/C20H22ClN3O2S/c1-2-10-24(12-17-8-9-18(21)27-17)13-19(25)22-16-5-3-4-14(11-16)20(26)23-15-6-7-15/h2-5,8-9,11,15H,1,6-7,10,12-13H2,(H,22,25)(H,23,26)