3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

InChI

InChI=1S/C23H25N3O4S/c1-29-19-10-7-16(8-11-19)9-12-21(27)26-23(31)25-18-5-2-4-17(14-18)22(28)24-15-20-6-3-13-30-20/h2,4-5,7-12,14,20H,3,6,13,15H2,1H3,(H,24,28)(H2,25,26,27,31)/b12-9+