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

Systemtic Name: 4-tert-butyl-N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C30H32N4O4S MolecularWeight: 544.66448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C30H32N4O4S/c1-5-38-25-17-6-20(7-18-25)8-19-26(35)32-29(39)34-33-28(37)22-11-15-24(16-12-22)31-27(36)21-9-13-23(14-10-21)30(2,3)4/h6-19H,5H2,1-4H3,(H,31,36)(H,33,37)(H2,32,34,35,39)/b19-8+