4-[2,4-bis(chloranyl)phenoxy]-N-(4-phenylpiperazin-1-yl)carbothioyl-butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-(4-phenylpiperazin-1-yl)carbothioyl-butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-(4-phenylpiperazine-1-carbothioyl)butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-(4-phenylpiperazine-1-carbothioyl)butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-(4-phenylpiperazine-1-carbothioyl)butyramide Formula: C21H23Cl2N3O2S MolecularWeight: 452.39722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O2S/c22-16-8-9-19(18(23)15-16)28-14-4-7-20(27)24-21(29)26-12-10-25(11-13-26)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,24,27,29)