1-butyl-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiourea

Systemtic Name: 1-butyl-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiourea Openeye Name: 1-butyl-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiourea CAS Name: 1-butyl-3-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]thiourea IUPAC Name: 1-butyl-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiourea Traditional Name: 1-butyl-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiourea Formula: C17H23N3S MolecularWeight: 301.44962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)N2C(=CC=C2C)C

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)N2C(=CC=C2C)C

InChI

InChI=1S/C17H23N3S/c1-4-5-12-18-17(21)19-15-8-10-16(11-9-15)20-13(2)6-7-14(20)3/h6-11H,4-5,12H2,1-3H3,(H2,18,19,21)