1-(3,4-dimethylphenyl)-3-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]thiourea Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N4O4S2/c1-14-6-8-17(12-15(14)2)22-21(30)24-23-20(26)16-7-9-18(29-3)19(13-16)31(27,28)25-10-4-5-11-25/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,26)(H2,22,24,30)