N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide

Systemtic Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide Openeye Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]-3-(4-phenylpiperazin-1-yl)propanamide CAS Name: N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]-3-(4-phenyl-1-piperazinyl)propanamide IUPAC Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide Traditional Name: N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]-3-(4-phenylpiperazino)propionamide Formula: C24H25N7O3S MolecularWeight: 491.5654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NN=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(=O)N/N=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H25N7O3S/c32-23(9-12-29-13-15-30(16-14-29)20-5-2-1-3-6-20)28-27-18-19-7-8-22(21(17-19)31(33)34)35-24-25-10-4-11-26-24/h1-8,10-11,17-18H,9,12-16H2,(H,28,32)/b27-18+