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

Systemtic Name: 1-(phenylmethyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea Openeye Name: 1-benzyl-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethyl]urea CAS Name: 1-(phenylmethyl)-3-[1-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl]urea IUPAC Name: 1-benzyl-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea Traditional Name: 1-benzyl-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:

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-16(24-22(26)23-15-17-9-3-2-4-10-17)20-18-11-5-6-12-19(18)27-21(20)25-13-7-8-14-25/h2-4,7-10,13-14,16H,5-6,11-12,15H2,1H3,(H2,23,24,26)