1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-thioxo-1,3-benzoxazol-3-yl)propan-1-one CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)-1-propanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propan-1-one Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-3-(2-thioxo-1,3-benzoxazol-3-yl)propan-1-one Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCN3C4=CC=CC=C4OC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C20H20N4O4S/c25-19(9-10-23-17-3-1-2-4-18(17)28-20(23)29)22-13-11-21(12-14-22)15-5-7-16(8-6-15)24(26)27/h1-8H,9-14H2