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

Systemtic Name: 3-methyl-N-[4-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[[[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[[(E)-3-(5-methyl-2-furyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C21H24N4O4S/c1-13(2)12-19(27)22-16-7-5-15(6-8-16)20(28)24-25-21(30)23-18(26)11-10-17-9-4-14(3)29-17/h4-11,13H,12H2,1-3H3,(H,22,27)(H,24,28)(H2,23,25,26,30)/b11-10+