(5Z)-5-[[3-(3-chloranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-[4-(phenylmethyl)piperazin-1-yl]-1,3-thiazol-4-one

Systemtic Name: (5Z)-5-[[3-(3-chloranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-[4-(phenylmethyl)piperazin-1-yl]-1,3-thiazol-4-one Openeye Name: (5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazol-4-one CAS Name: (5Z)-5-[[3-(3-chloro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-[4-(phenylmethyl)-1-piperazinyl]-4-thiazolone IUPAC Name: (5Z)-2-(4-benzylpiperazin-1-yl)-5-[[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-2-(4-benzylpiperazino)-5-[[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thiazolin-4-one Formula: C33H32ClN5O2S MolecularWeight: 598.15748

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C33H32ClN5O2S/c1-2-19-41-29-14-13-25(20-28(29)34)31-26(23-39(36-31)27-11-7-4-8-12-27)21-30-32(40)35-33(42-30)38-17-15-37(16-18-38)22-24-9-5-3-6-10-24/h3-14,20-21,23H,2,15-19,22H2,1H3/b30-21-