1-[[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[1-(4-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[[1-(4-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[[1-(4-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-ethyl-thiourea Formula: C20H28N4S MolecularWeight: 356.52812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=S)NCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=S)NCC)C

InChI

InChI=1S/C20H28N4S/c1-5-7-8-17-9-11-19(12-10-17)24-15(3)13-18(16(24)4)14-22-23-20(25)21-6-2/h9-14H,5-8H2,1-4H3,(H2,21,23,25)