N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(4-methylsulfanylphenyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-[4-(methylthio)phenyl]methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-[4-(methylthio)benzylidene]amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=N\NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-27-20-9-7-18(8-10-20)17-22-23-21(26)11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,23,26)/p+1/b22-17-