1-(3-methylphenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea Openeye Name: 1-(m-tolyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethyl]urea CAS Name: 1-(3-methylphenyl)-3-[1-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea Traditional Name: 1-(m-tolyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethyl]urea Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(C)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC(C)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-15-8-7-9-17(14-15)24-22(26)23-16(2)20-18-10-3-4-11-19(18)27-21(20)25-12-5-6-13-25/h5-9,12-14,16H,3-4,10-11H2,1-2H3,(H2,23,24,26)