N-[3-[[(E)-3-[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]prop-2-enoyl]carbamothioylamino]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[[(E)-3-[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]prop-2-enoyl]carbamothioylamino]phenyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)-2-furyl]prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[[[(E)-3-[5-(2,3-dichlorophenyl)-2-furanyl]-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)-2-furyl]acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C31H27Cl2N3O3S MolecularWeight: 592.53538

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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=C(C(=CC=C4)Cl)Cl

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=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C31H27Cl2N3O3S/c1-31(2,3)20-12-10-19(11-13-20)29(38)34-21-6-4-7-22(18-21)35-30(40)36-27(37)17-15-23-14-16-26(39-23)24-8-5-9-25(32)28(24)33/h4-18H,1-3H3,(H,34,38)(H2,35,36,37,40)/b17-15+