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

Systemtic Name: N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C30H32N4O3S MolecularWeight: 528.66508

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C30H32N4O3S/c1-2-21-37-27-10-6-9-24(22-27)29(36)32-30(38)31-25-12-14-26(15-13-25)33-17-19-34(20-18-33)28(35)16-11-23-7-4-3-5-8-23/h3-16,22H,2,17-21H2,1H3,(H2,31,32,36,38)/b16-11+