N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H24N4O4S/c1-3-4-19(27)23-17-10-8-16(9-11-17)21(29)25-26-22(31)24-20(28)14-7-15-5-12-18(30-2)13-6-15/h5-14H,3-4H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,31)/b14-7+