1-butyl-3-(3-pyrrol-1-yl-1-benzothiophen-2-yl)urea

Systemtic Name: 1-butyl-3-(3-pyrrol-1-yl-1-benzothiophen-2-yl)urea Openeye Name: 1-butyl-3-(3-pyrrol-1-ylbenzothiophen-2-yl)urea CAS Name: 1-butyl-3-[3-(1-pyrrolyl)-1-benzothiophen-2-yl]urea IUPAC Name: 1-butyl-3-(3-pyrrol-1-yl-1-benzothiophen-2-yl)urea Traditional Name: 1-butyl-3-(3-pyrrol-1-ylbenzothiophen-2-yl)urea Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C2=CC=CC=C2S1)N3C=CC=C3

Isomeric SMILES

CCCCNC(=O)NC1=C(C2=CC=CC=C2S1)N3C=CC=C3

InChI

InChI=1S/C17H19N3OS/c1-2-3-10-18-17(21)19-16-15(20-11-6-7-12-20)13-8-4-5-9-14(13)22-16/h4-9,11-12H,2-3,10H2,1H3,(H2,18,19,21)