1-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]thiourea CAS Name: 1-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiourea Formula: C27H30N4O2S2 MolecularWeight: 506.6827

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2S2/c1-2-17-28-27(34)29-24-13-15-25(16-14-24)35(32,33)31-20-18-30(19-21-31)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h2-16,26H,1,17-21H2,(H2,28,29,34)