4-tert-butyl-N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O4S/c1-29(2,3)21-10-8-20(9-11-21)27(34)30-22-12-14-23(15-13-22)31-28(37)32-26(33)17-7-19-6-16-24(35-4)25(18-19)36-5/h6-18H,1-5H3,(H,30,34)(H2,31,32,33,37)/b17-7+