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

Systemtic Name: 4-tert-butyl-N-[4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H30N4O3S/c1-19-5-7-20(8-6-19)9-18-25(34)31-28(37)33-32-27(36)22-12-16-24(17-13-22)30-26(35)21-10-14-23(15-11-21)29(2,3)4/h5-18H,1-4H3,(H,30,35)(H,32,36)(H2,31,33,34,37)/b18-9+