1-(furan-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(2-furylmethyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea CAS Name: 1-(2-furanylmethyl)-3-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(2-furfuryl)-3-[4-(4-methylpiperazino)sulfonylphenyl]thiourea Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H22N4O3S2/c1-20-8-10-21(11-9-20)26(22,23)16-6-4-14(5-7-16)19-17(25)18-13-15-3-2-12-24-15/h2-7,12H,8-11,13H2,1H3,(H2,18,19,25)