4-[[(2R)-2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[allyl-[(5-chloro-2-thienyl)methyl]amino]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[allyl-[(5-chloro-2-thienyl)methyl]amino]propanoyl]amino]benzamide Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)N(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)N(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C18H20ClN3O2S/c1-3-10-22(11-15-8-9-16(19)25-15)12(2)18(24)21-14-6-4-13(5-7-14)17(20)23/h3-9,12H,1,10-11H2,2H3,(H2,20,23)(H,21,24)/t12-/m1/s1