1-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]-3-(3,4-dimethylphenyl)thiourea Formula: C20H23ClN4O3S2 MolecularWeight: 467.00462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3S2/c1-13-5-6-15(11-14(13)2)22-20(29)24-23-19(26)17-12-16(7-8-18(17)21)30(27,28)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,26)(H2,22,24,29)