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

Systemtic Name: 4-tert-butyl-N-[4-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[[(E)-3-(2-methoxyphenyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C29H30N4O4S MolecularWeight: 530.6379

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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)C(=O)NNC(=S)NC(=O)C=CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C29H30N4O4S/c1-29(2,3)22-14-9-20(10-15-22)26(35)30-23-16-11-21(12-17-23)27(36)32-33-28(38)31-25(34)18-13-19-7-5-6-8-24(19)37-4/h5-18H,1-4H3,(H,30,35)(H,32,36)(H2,31,33,34,38)/b18-13+