6-chloranyl-3-nitro-1-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one

Systemtic Name: 6-chloranyl-3-nitro-1-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-benzyl-6-chloro-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 6-chloro-3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-(phenylmethyl)-2-quinolinone IUPAC Name: 1-benzyl-6-chloro-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 1-benzyl-6-chloro-3-nitro-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C25H21ClN4O4S MolecularWeight: 508.97664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C25H21ClN4O4S/c26-18-8-9-20-19(15-18)22(27-10-12-28(13-11-27)24(31)21-7-4-14-35-21)23(30(33)34)25(32)29(20)16-17-5-2-1-3-6-17/h1-9,14-15H,10-13,16H2