1-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]-3-pyridin-3-yl-thiourea Openeye Name: 1-[(E)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]-3-(3-pyridyl)thiourea CAS Name: 1-[(E)-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]methylideneamino]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]-3-pyridin-3-ylthiourea Traditional Name: 1-[(E)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]-3-(3-pyridyl)thiourea Formula: C23H26N6O3S2 MolecularWeight: 498.62094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C=NNC(=S)NC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)/C=N/NC(=S)NC4=CN=CC=C4

InChI

InChI=1S/C23H26N6O3S2/c1-17-13-19(15-25-27-23(33)26-20-5-4-8-24-16-20)18(2)29(17)21-6-3-7-22(14-21)34(30,31)28-9-11-32-12-10-28/h3-8,13-16H,9-12H2,1-2H3,(H2,26,27,33)/b25-15+