1-(3-methylsulfanylpropyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thiourea Formula: C19H30N4O3S3 MolecularWeight: 458.6615

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCC3

Isomeric SMILES

CSCCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCC3

InChI

InChI=1S/C19H30N4O3S3/c1-28-14-4-7-20-19(27)21-17-15-16(5-6-18(17)22-8-2-3-9-22)29(24,25)23-10-12-26-13-11-23/h5-6,15H,2-4,7-14H2,1H3,(H2,20,21,27)