1-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylideneamino]-3-(2-methoxyethyl)thiourea

Systemtic Name: 1-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylideneamino]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methyleneamino]-3-(2-methoxyethyl)thiourea CAS Name: 1-[[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]methylideneamino]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylideneamino]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]methyleneamino]-3-(2-methoxyethyl)thiourea Formula: C25H36N6O4S2 MolecularWeight: 548.72114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=NNC(=S)NCCOC

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=NNC(=S)NCCOC

InChI

InChI=1S/C25H36N6O4S2/c1-19-16-21(18-27-28-25(36)26-8-13-34-3)20(2)31(19)24-17-22(6-7-23(24)29-9-4-5-10-29)37(32,33)30-11-14-35-15-12-30/h6-7,16-18H,4-5,8-15H2,1-3H3,(H2,26,28,36)