1-[(E)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[(E)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[(E)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[(E)-(5-cyano-1,2-dimethyl-3-pyrrolyl)methylideneamino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(E)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[(E)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]-3-p-cumenyl-thiourea Formula: C18H21N5S MolecularWeight: 339.45784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=NNC(=S)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=N/NC(=S)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H21N5S/c1-12(2)14-5-7-16(8-6-14)21-18(24)22-20-11-15-9-17(10-19)23(4)13(15)3/h5-9,11-12H,1-4H3,(H2,21,22,24)/b20-11+