1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]methyl]-3-phenyl-1-propan-2-yl-urea

Systemtic Name: 1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]methyl]-3-phenyl-1-propan-2-yl-urea Openeye Name: 1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]thiazol-2-yl]methyl]-1-isopropyl-3-phenyl-urea CAS Name: 1-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-thiazolyl]methyl]-3-phenyl-1-propan-2-ylurea IUPAC Name: 1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-3-phenyl-1-propan-2-ylurea Traditional Name: 1-isopropyl-3-phenyl-1-[[4-(4-piperonylpiperazine-1-carbonyl)thiazol-2-yl]methyl]urea Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=CS1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC(C)N(CC1=NC(=CS1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O4S/c1-19(2)32(27(34)28-21-6-4-3-5-7-21)16-25-29-22(17-37-25)26(33)31-12-10-30(11-13-31)15-20-8-9-23-24(14-20)36-18-35-23/h3-9,14,17,19H,10-13,15-16,18H2,1-2H3,(H,28,34)