N-[4-chloranyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C18H18ClN3O2S2/c1-2-4-16(23)20-12-6-8-14(19)15(11-12)21-18(25)22-17(24)9-7-13-5-3-10-26-13/h3,5-11H,2,4H2,1H3,(H,20,23)(H2,21,22,24,25)/b9-7+