1-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoylamino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[[3-[(2,5-dimethylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoylamino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C22H29N5O6S3 MolecularWeight: 555.69056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H29N5O6S3/c1-16-3-4-17(2)20(15-16)35(29,30)23-10-9-21(28)25-26-22(34)24-18-5-7-19(8-6-18)36(31,32)27-11-13-33-14-12-27/h3-8,15,23H,9-14H2,1-2H3,(H,25,28)(H2,24,26,34)