1-[[5-(4-fluorophenyl)pyrrol-2-ylidene]methylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[[5-(4-fluorophenyl)pyrrol-2-ylidene]methylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[[5-(4-fluorophenyl)pyrrol-2-ylidene]methylamino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[[5-(4-fluorophenyl)-2-pyrrolylidene]methylamino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[[5-(4-fluorophenyl)pyrrol-2-ylidene]methylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[[5-(4-fluorophenyl)pyrrol-2-ylidene]methylamino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C22H22FN5O3S2 MolecularWeight: 487.570183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NNC=C3C=CC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NNC=C3C=CC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN5O3S2/c23-17-3-1-16(2-4-17)21-10-7-19(25-21)15-24-27-22(32)26-18-5-8-20(9-6-18)33(29,30)28-11-13-31-14-12-28/h1-10,15,24H,11-14H2,(H2,26,27,32)