[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrophenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-[(4-methylthiazol-2-yl)thio]-3-nitro-phenyl]-(4-phenylpiperazino)methanone Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S2/c1-15-14-29-21(22-15)30-19-8-7-16(13-18(19)25(27)28)20(26)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3