1-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea

Systemtic Name: 1-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-piperonyl-thiourea Formula: C25H32N4O5S2 MolecularWeight: 532.67538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H32N4O5S2/c30-36(31,29-11-13-32-14-12-29)20-6-7-22(28-9-3-1-2-4-10-28)21(16-20)27-25(35)26-17-19-5-8-23-24(15-19)34-18-33-23/h5-8,15-16H,1-4,9-14,17-18H2,(H2,26,27,35)