N-[[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C30H31ClN4O2S MolecularWeight: 547.11074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C30H31ClN4O2S/c1-21(2)23-9-11-24(12-10-23)29(37)33-30(38)32-25-13-14-27(26(31)20-25)34-16-18-35(19-17-34)28(36)15-8-22-6-4-3-5-7-22/h3-15,20-21H,16-19H2,1-2H3,(H2,32,33,37,38)/b15-8+