1-[(4-ethylphenyl)-thiophen-2-yl-methyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea

Systemtic Name: 1-[(4-ethylphenyl)-thiophen-2-yl-methyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea Openeye Name: 1-[(4-ethylphenyl)-(2-thienyl)methyl]-3-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]urea CAS Name: 1-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]urea IUPAC Name: 1-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea Traditional Name: 1-[(4-ethylphenyl)-(2-thienyl)methyl]-3-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]urea Formula: C23H27N3O3S3 MolecularWeight: 489.67378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O3S3/c1-2-17-7-9-18(10-8-17)22(20-6-5-15-30-20)25-23(27)24-16-19-11-12-21(31-19)32(28,29)26-13-3-4-14-26/h5-12,15,22H,2-4,13-14,16H2,1H3,(H2,24,25,27)