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

Systemtic Name: 1-(3-methylphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Openeye Name: 1-(m-tolyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea CAS Name: 1-(3-methylphenyl)-3-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Traditional Name: 1-(m-tolyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C21H23N3OS/c1-15-7-6-8-16(13-15)23-21(25)22-14-18-17-9-2-3-10-19(17)26-20(18)24-11-4-5-12-24/h4-8,11-13H,2-3,9-10,14H2,1H3,(H2,22,23,25)