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

Systemtic Name: N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-15(2)14-21(29)24-18-9-7-17(8-10-18)22(30)26-27-23(32)25-20(28)13-6-16-4-11-19(31-3)12-5-16/h4-13,15H,14H2,1-3H3,(H,24,29)(H,26,30)(H2,25,27,28,32)/b13-6+