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

Systemtic Name: 1-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]-3-methyl-thiourea Openeye Name: 1-[(E)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]-3-methyl-thiourea CAS Name: 1-[(E)-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]methylideneamino]-3-methylthiourea IUPAC Name: 1-[(E)-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]-3-methylthiourea Traditional Name: 1-[(E)-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]-3-methyl-thiourea Formula: C19H25N5O3S2 MolecularWeight: 435.5635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C=NNC(=S)NC

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3S2/c1-14-11-16(13-21-22-19(28)20-3)15(2)24(14)17-5-4-6-18(12-17)29(25,26)23-7-9-27-10-8-23/h4-6,11-13H,7-10H2,1-3H3,(H2,20,22,28)/b21-13+