4-tert-butyl-N-[3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C31H29N3O3S MolecularWeight: 523.64526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C31H29N3O3S/c1-31(2,3)23-14-12-22(13-15-23)29(36)32-24-10-7-11-25(20-24)33-30(38)34-28(35)19-17-26-16-18-27(37-26)21-8-5-4-6-9-21/h4-20H,1-3H3,(H,32,36)(H2,33,34,35,38)/b19-17+