1-(4-butylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[(1,5-dimethyl-2-pyrrolyl)methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Formula: C18H25N3S MolecularWeight: 315.4762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(N2C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(N2C)C

InChI

InChI=1S/C18H25N3S/c1-4-5-6-15-8-10-16(11-9-15)20-18(22)19-13-17-12-7-14(2)21(17)3/h7-12H,4-6,13H2,1-3H3,(H2,19,20,22)