[4-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-phenethyl-amino]methyl]phenyl]-piperazin-1-yl-methanone

Systemtic Name: [4-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-phenethyl-amino]methyl]phenyl]-piperazin-1-yl-methanone Openeye Name: [4-[[[4-(3-nitrophenyl)thiazol-2-yl]-phenethyl-amino]methyl]phenyl]-piperazin-1-yl-methanone CAS Name: [4-[[[4-(3-nitrophenyl)-2-thiazolyl]-phenethylamino]methyl]phenyl]-(1-piperazinyl)methanone IUPAC Name: [4-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-phenethylamino]methyl]phenyl]-piperazin-1-ylmethanone Traditional Name: [4-[[[4-(3-nitrophenyl)thiazol-2-yl]-phenethyl-amino]methyl]phenyl]-piperazino-methanone Formula: C29H29N5O3S MolecularWeight: 527.63726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC=C(C=C2)CN(CCC3=CC=CC=C3)C4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)CN(CCC3=CC=CC=C3)C4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H29N5O3S/c35-28(32-17-14-30-15-18-32)24-11-9-23(10-12-24)20-33(16-13-22-5-2-1-3-6-22)29-31-27(21-38-29)25-7-4-8-26(19-25)34(36)37/h1-12,19,21,30H,13-18,20H2