N-[4-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[(E)-3-(5-methyl-2-furyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C20H22N4O4S MolecularWeight: 414.47808

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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(O2)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(O2)C

InChI

InChI=1S/C20H22N4O4S/c1-3-4-17(25)21-15-8-6-14(7-9-15)19(27)23-24-20(29)22-18(26)12-11-16-10-5-13(2)28-16/h5-12H,3-4H2,1-2H3,(H,21,25)(H,23,27)(H2,22,24,26,29)/b12-11+